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

Systemtic Name: 1-(4-bromophenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-(4-bromophenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=C(C=C2)Br)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=C(C=C2)Br)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrN4O3S/c20-14-3-1-13(2-4-14)17(25)12-22-7-9-23(10-8-22)19-21-16-6-5-15(24(26)27)11-18(16)28-19/h1-6,11H,7-10,12H2