N-(4-azanylcyclohexyl)-4-[phenethyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[phenethyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[oxo(thiophen-2-yl)methyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C31H38N4O2S MolecularWeight: 530.72402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H38N4O2S/c32-25-13-15-26(16-14-25)33-30(36)28-20-27(22-35(28)31(37)29-12-7-19-38-29)34(21-24-10-5-2-6-11-24)18-17-23-8-3-1-4-9-23/h1-12,19,25-28H,13-18,20-22,32H2,(H,33,36)