4-[2-[[4-(1H-benzimidazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-(1H-benzimidazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-(1H-benzimidazol-2-yl)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[4-(1H-benzimidazol-2-yl)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4S/c23-21(29)14-7-10-19(18(11-14)27(30)31)32-12-20(28)24-15-8-5-13(6-9-15)22-25-16-3-1-2-4-17(16)26-22/h1-11H,12H2,(H2,23,29)(H,24,28)(H,25,26)