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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(4-chloro-2-nitro-phenyl)piperazino]ethanone Formula: C19H17ClN4O3S2 MolecularWeight: 448.94628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CSC3=NC4=CC=CC=C4S3

InChI

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