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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[(2-methylphenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[o-tolylmethyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[(2-methylbenzyl)-phenethyl-amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C32H40N4O2S MolecularWeight: 544.7506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NC5CCC(CC5)N

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C32H40N4O2S/c1-23-8-5-6-11-25(23)21-35(18-17-24-9-3-2-4-10-24)28-20-29(31(37)34-27-15-13-26(33)14-16-27)36(22-28)32(38)30-12-7-19-39-30/h2-12,19,26-29H,13-18,20-22,33H2,1H3,(H,34,37)