2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(3-chlorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(3-chlorophenyl)piperazino]ethanone Formula: C20H20ClN3OS2 MolecularWeight: 417.9753

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20ClN3OS2/c21-15-4-3-5-16(12-15)23-8-10-24(11-9-23)20(25)14-26-13-19-22-17-6-1-2-7-18(17)27-19/h1-7,12H,8-11,13-14H2