OND

4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide

Created:	2019-07-01
Last modified:	2019-08-28

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1 entries where OND is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	21

2D diagram of OND

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Chemical Component Summary
Name	4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
Systematic Name (OpenEye OEToolkits)	4-[5-[(2-aminophenyl)methylcarbamoyl]thiophen-2-yl]-1-benzothiophene-2-carboxamide
Formula	C₂₁ H₁₇ N₃ O₂ S₂
Molecular Weight	407.509
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(N)(c4cc3c(c1ccc(s1)C(NCc2c(cccc2)N)=O)cccc3s4)=O
SMILES	CACTVS	3.385	NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4ccccc4N)c2c1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4ccccc4N)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N
InChI	InChI	1.03	InChI=1S/C21H17N3O2S2/c22-15-6-2-1-4-12(15)11-24-21(26)18-9-8-17(27-18)13-5-3-7-16-14(13)10-19(28-16)20(23)25/h1-10H,11,22H2,(H2,23,25)(H,24,26)
InChIKey	InChI	1.03	UQZFCZAYARDQIK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	145946110

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