4-[6-(4-aminocarbonyl-2-nitro-phenyl)sulfanylhexylsulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[6-(4-aminocarbonyl-2-nitro-phenyl)sulfanylhexylsulfanyl]-3-nitro-benzamide Openeye Name: 4-[6-(4-carbamoyl-2-nitro-phenyl)sulfanylhexylsulfanyl]-3-nitro-benzamide CAS Name: 4-[6-[(4-carbamoyl-2-nitrophenyl)thio]hexylthio]-3-nitrobenzamide IUPAC Name: 4-[6-(4-carbamoyl-2-nitrophenyl)sulfanylhexylsulfanyl]-3-nitrobenzamide Traditional Name: 4-[6-[(4-carbamoyl-2-nitro-phenyl)thio]hexylthio]-3-nitro-benzamide Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SCCCCCCSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SCCCCCCSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S2/c21-19(25)13-5-7-17(15(11-13)23(27)28)31-9-3-1-2-4-10-32-18-8-6-14(20(22)26)12-16(18)24(29)30/h5-8,11-12H,1-4,9-10H2,(H2,21,25)(H2,22,26)