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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-4-[p-tolylmethyl(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[(4-methylbenzyl)-(2-thenyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C32H40N4O2S MolecularWeight: 544.7506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)C)C(=O)NC5CCC(CC5)N

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)C)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C32H40N4O2S/c1-22-5-9-24(10-6-22)19-35(21-29-4-3-17-39-29)28-18-30(31(37)34-27-15-13-26(33)14-16-27)36(20-28)32(38)25-11-7-23(2)8-12-25/h3-12,17,26-28,30H,13-16,18-21,33H2,1-2H3,(H,34,37)