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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[2-methylpropyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[benzyl(isobutyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[2-methylpropyl-(phenylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[benzyl(isobutyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C27H38N4O2S MolecularWeight: 482.68122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NC4CCC(CC4)N

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NC4CCC(CC4)N

InChI

InChI=1S/C27H38N4O2S/c1-19(2)16-30(17-20-7-4-3-5-8-20)23-15-24(26(32)29-22-12-10-21(28)11-13-22)31(18-23)27(33)25-9-6-14-34-25/h3-9,14,19,21-24H,10-13,15-18,28H2,1-2H3,(H,29,32)