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

Systemtic Name: N-[2-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[(2-aminocyclohexyl)-[(4-methoxyphenyl)-oxomethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[(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=C2NC(=O)C3=CC=CS3)C4CCCCC4N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=CS3)C4CCCCC4N

InChI

InChI=1S/C26H29N3O3S/c1-32-20-14-12-18(13-15-20)26(31)29(23-10-5-3-8-21(23)27)17-19-7-2-4-9-22(19)28-25(30)24-11-6-16-33-24/h2,4,6-7,9,11-16,21,23H,3,5,8,10,17,27H2,1H3,(H,28,30)