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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[(4-methylphenyl)methyl-(2-methylpropyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[isobutyl(p-tolylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-methylpropyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[isobutyl-(4-methylbenzyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C28H40N4O2S MolecularWeight: 496.7078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O2S/c1-19(2)16-31(17-21-8-6-20(3)7-9-21)24-15-25(27(33)30-23-12-10-22(29)11-13-23)32(18-24)28(34)26-5-4-14-35-26/h4-9,14,19,22-25H,10-13,15-18,29H2,1-3H3,(H,30,33)