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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[2-methylpropyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[isobutyl(thiophene-2-carbonyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-methylphenyl)-oxomethyl]-4-[2-methylpropyl-[oxo(thiophen-2-yl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-4-[2-methylpropyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[isobutyl(2-thenoyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC(C)C)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC(C)C)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H38N4O3S/c1-18(2)16-31(28(35)25-5-4-14-36-25)23-15-24(26(33)30-22-12-10-21(29)11-13-22)32(17-23)27(34)20-8-6-19(3)7-9-20/h4-9,14,18,21-24H,10-13,15-17,29H2,1-3H3,(H,30,33)