2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-[4-(m-tolyl)piperazino]ethanone Formula: C20H20ClN3OS2 MolecularWeight: 417.9753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C20H20ClN3OS2/c1-14-3-2-4-16(11-14)23-7-9-24(10-8-23)19(25)13-26-20-22-17-12-15(21)5-6-18(17)27-20/h2-6,11-12H,7-10,13H2,1H3