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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl(p-tolylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-(4-methylbenzyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C28H38N4O2S MolecularWeight: 494.69192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2CC2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2CC2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H38N4O2S/c1-19-4-6-20(7-5-19)18-32(23-12-13-23)24-14-15-31(28(34)26-3-2-16-35-26)25(17-24)27(33)30-22-10-8-21(29)9-11-22/h2-7,16,21-25H,8-15,17-18,29H2,1H3,(H,30,33)/t21?,22?,24?,25-/m1/s1