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

Systemtic Name: N-[2-[[(2-azanylcyclohexyl)-(3,4-dimethoxyphenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[(2-aminocyclohexyl)-(3,4-dimethoxybenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[(2-aminocyclohexyl)-[(3,4-dimethoxyphenyl)-oxomethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[(2-aminocyclohexyl)-(3,4-dimethoxybenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[(2-aminocyclohexyl)-veratroyl-amino]methyl]phenyl]thiophene-2-carboxamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-33-23-14-13-18(16-24(23)34-2)27(32)30(22-11-6-4-9-20(22)28)17-19-8-3-5-10-21(19)29-26(31)25-12-7-15-35-25/h3,5,7-8,10,12-16,20,22H,4,6,9,11,17,28H2,1-2H3,(H,29,31)