[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [(3S)-3-(3,4-dimethylanilino)piperidino]-[2-(methylthio)-3-pyridyl]methanone Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=C(N=CC=C3)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3OS/c1-14-8-9-16(12-15(14)2)22-17-6-5-11-23(13-17)20(24)18-7-4-10-21-19(18)25-3/h4,7-10,12,17,22H,5-6,11,13H2,1-3H3/t17-/m0/s1