[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,5-dimethylphenyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3,5-dimethylphenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(3,5-dimethylphenyl)methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(3,5-dimethylphenyl)methanone Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H22N2OS/c1-14-10-15(2)12-17(11-14)21(24)23-9-5-6-16(13-23)20-22-18-7-3-4-8-19(18)25-20/h3-4,7-8,10-12,16H,5-6,9,13H2,1-2H3/t16-/m0/s1