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

Systemtic Name: (5-bromanylthiophen-2-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (5-bromo-2-thienyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (5-bromo-2-thiophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (5-bromothiophen-2-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (5-bromo-2-thienyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C16H13BrN4O3S2 MolecularWeight: 453.33342

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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=C(S4)Br

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C16H13BrN4O3S2/c17-14-4-3-12(25-14)15(22)19-5-7-20(8-6-19)16-18-11-2-1-10(21(23)24)9-13(11)26-16/h1-4,9H,5-8H2