N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[benzyl(2-thienylmethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-methylphenyl)-oxomethyl]-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[benzyl(thiophen-2-ylmethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[benzyl(2-thenyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C31H38N4O2S MolecularWeight: 530.72402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C31H38N4O2S/c1-22-9-11-24(12-10-22)31(37)35-20-27(18-29(35)30(36)33-26-15-13-25(32)14-16-26)34(21-28-8-5-17-38-28)19-23-6-3-2-4-7-23/h2-12,17,25-27,29H,13-16,18-21,32H2,1H3,(H,33,36)