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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[isobutyl(o-tolylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[isobutyl-(2-methylbenzyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C29H42N4O2S MolecularWeight: 510.73438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC(C)C)C2CCN(C(C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1CN(CC(C)C)C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

InChI

InChI=1S/C29H42N4O2S/c1-20(2)18-32(19-22-8-5-4-7-21(22)3)25-14-15-33(29(35)27-9-6-16-36-27)26(17-25)28(34)31-24-12-10-23(30)11-13-24/h4-9,16,20,23-26H,10-15,17-19,30H2,1-3H3,(H,31,34)/t23?,24?,25?,26-/m1/s1