[(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-3-[benzyl(methyl)amino]-1-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-3-[methyl-(phenylmethyl)amino]-1-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-3-[benzyl(methyl)amino]piperidino]-[4-(methylthio)phenyl]methanone Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H26N2OS/c1-22(15-17-7-4-3-5-8-17)19-9-6-14-23(16-19)21(24)18-10-12-20(25-2)13-11-18/h3-5,7-8,10-13,19H,6,9,14-16H2,1-2H3/t19-/m0/s1