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

Systemtic Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C16H13N5O5S2 MolecularWeight: 419.43492

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O5S2/c22-15(12-3-4-14(27-12)21(25)26)18-5-7-19(8-6-18)16-17-11-2-1-10(20(23)24)9-13(11)28-16/h1-4,9H,5-8H2