2-methylsulfanyl-1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]ethanone

Systemtic Name: 2-methylsulfanyl-1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]ethanone Openeye Name: 1-[(3S)-3-(4-isopropylanilino)-1-piperidyl]-2-methylsulfanyl-ethanone CAS Name: 2-(methylthio)-1-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]ethanone IUPAC Name: 2-methylsulfanyl-1-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone Traditional Name: 1-[(3S)-3-cumidinopiperidino]-2-(methylthio)ethanone Formula: C17H26N2OS MolecularWeight: 306.46614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)CSC

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2OS/c1-13(2)14-6-8-15(9-7-14)18-16-5-4-10-19(11-16)17(20)12-21-3/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t16-/m0/s1