2-nitro-5-[[4-nitro-3-[(phenylmethyl)carbamoyl]phenyl]disulfanyl]-N-(phenylmethyl)benzamide

Systemtic Name: 2-nitro-5-[[4-nitro-3-[(phenylmethyl)carbamoyl]phenyl]disulfanyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-5-[[3-(benzylcarbamoyl)-4-nitro-phenyl]disulfanyl]-2-nitro-benzamide CAS Name: 2-nitro-5-[[4-nitro-3-[oxo-[(phenylmethyl)amino]methyl]phenyl]disulfanyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-5-[[3-(benzylcarbamoyl)-4-nitrophenyl]disulfanyl]-2-nitrobenzamide Traditional Name: N-benzyl-5-[[3-(benzylcarbamoyl)-4-nitro-phenyl]disulfanyl]-2-nitro-benzamide Formula: C28H22N4O6S2 MolecularWeight: 574.62748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)SSC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)SSC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H22N4O6S2/c33-27(29-17-19-7-3-1-4-8-19)23-15-21(11-13-25(23)31(35)36)39-40-22-12-14-26(32(37)38)24(16-22)28(34)30-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,29,33)(H,30,34)