N-[3-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-methoxyphenyl)-oxomethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-p-anisoyl-amino]methyl]phenyl]thiophene-2-carboxamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CS3)C4CCCCC4N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CS3)C4CCCCC4N

InChI

InChI=1S/C26H29N3O3S/c1-32-21-13-11-19(12-14-21)26(31)29(23-9-3-2-8-22(23)27)17-18-6-4-7-20(16-18)28-25(30)24-10-5-15-33-24/h4-7,10-16,22-23H,2-3,8-9,17,27H2,1H3,(H,28,30)