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

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C19H17ClN4O3S2 MolecularWeight: 448.94628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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