3-nitro-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thio]-3-nitro-benzamide Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6S/c20-19(26)13-1-6-17(16(11-13)24(29)30)31-12-18(25)22-9-7-21(8-10-22)14-2-4-15(5-3-14)23(27)28/h1-6,11H,7-10,12H2,(H2,20,26)