1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(p-tolylsulfanyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[(4-methylphenyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-(p-tolylthio)ethanone Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2OS2/c1-15-6-8-17(9-7-15)25-14-20(24)23-12-10-16(11-13-23)21-22-18-4-2-3-5-19(18)26-21/h2-9,16H,10-14H2,1H3