2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(4-chloro-2-nitro-phenyl)piperazino]ethanone Formula: C20H19ClN4O3S2 MolecularWeight: 462.97286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19ClN4O3S2/c21-14-5-6-16(17(11-14)25(27)28)23-7-9-24(10-8-23)20(26)13-29-12-19-22-15-3-1-2-4-18(15)30-19/h1-6,11H,7-10,12-13H2