N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-4-(methylamino)-3-nitro-benzohydrazide

Systemtic Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-4-(methylamino)-3-nitro-benzohydrazide Openeye Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-4-(methylamino)-3-nitro-benzohydrazide CAS Name: N'-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-4-(methylamino)-3-nitrobenzohydrazide IUPAC Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-4-(methylamino)-3-nitrobenzohydrazide Traditional Name: N'-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]-4-(methylamino)-3-nitro-benzohydrazide Formula: C23H20N6O4S MolecularWeight: 476.5077

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N6O4S/c1-24-19-11-10-16(12-20(19)29(32)33)22(31)28-27-21(30)15-8-6-14(7-9-15)13-34-23-25-17-4-2-3-5-18(17)26-23/h2-12,24H,13H2,1H3,(H,25,26)(H,27,30)(H,28,31)