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

Systemtic Name: N-[2-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=CC=C2NC(=O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=CC=C2NC(=O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H26N4O2S/c27-16-18-7-9-19(10-8-18)26(32)30(22-13-11-21(28)12-14-22)17-20-4-1-2-5-23(20)29-25(31)24-6-3-15-33-24/h1-10,15,21-22H,11-14,17,28H2,(H,29,31)