1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-benzylsulfanyl-ethanone CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-benzylsulfanylethanone Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(benzylthio)ethanone Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CSCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2OS2/c24-20(15-25-14-16-7-2-1-3-8-16)23-12-6-9-17(13-23)21-22-18-10-4-5-11-19(18)26-21/h1-5,7-8,10-11,17H,6,9,12-15H2/t17-/m1/s1