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

Systemtic Name: (3-bromophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C18H15BrN4O3S MolecularWeight: 447.3057

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C18H15BrN4O3S/c19-13-3-1-2-12(10-13)17(24)21-6-8-22(9-7-21)18-20-15-5-4-14(23(25)26)11-16(15)27-18/h1-5,10-11H,6-9H2