4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-30-17-10-8-16(9-11-17)25-19-5-3-2-4-18(19)24-22(25)31-13-15-7-6-14(21(23)27)12-20(15)26(28)29/h2-12H,13H2,1H3,(H2,23,27)