1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-phenylsulfanyl-propan-1-one CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-phenylsulfanylpropan-1-one Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-3-(phenylthio)propan-1-one Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCSC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CCSC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2OS2/c24-20(12-14-25-17-8-2-1-3-9-17)23-13-6-7-16(15-23)21-22-18-10-4-5-11-19(18)26-21/h1-5,8-11,16H,6-7,12-15H2/t16-/m1/s1