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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C26H26N4O2S MolecularWeight: 458.57524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)C#N

InChI

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