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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4Br

InChI

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