(2-methylsulfanylpyridin-3-yl)-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]methanone

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]methanone Openeye Name: [(3S)-3-(4-isopropylanilino)-1-piperidyl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [2-(methylthio)-3-pyridinyl]-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]methanone IUPAC Name: (2-methylsulfanylpyridin-3-yl)-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone Traditional Name: [(3S)-3-cumidinopiperidino]-[2-(methylthio)-3-pyridyl]methanone Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H27N3OS/c1-15(2)16-8-10-17(11-9-16)23-18-6-5-13-24(14-18)21(25)19-7-4-12-22-20(19)26-3/h4,7-12,15,18,23H,5-6,13-14H2,1-3H3/t18-/m0/s1