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

Systemtic Name: N-(4-bromophenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]acetamide Formula: C19H18BrN5O3S MolecularWeight: 476.34692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)Br)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)Br)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrN5O3S/c20-13-1-3-14(4-2-13)21-18(26)12-23-7-9-24(10-8-23)19-22-16-6-5-15(25(27)28)11-17(16)29-19/h1-6,11H,7-10,12H2,(H,21,26)