1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C19H17ClN4O3S2 MolecularWeight: 448.94628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O3S2/c20-13-2-1-3-14(10-13)22-6-8-23(9-7-22)18(25)12-28-19-21-16-5-4-15(24(26)27)11-17(16)29-19/h1-5,10-11H,6-9,12H2