methyl 2-methylsulfanyl-3-[[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-methylsulfanyl-3-[[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 3-[[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]-2-methylsulfanyl-benzimidazole-4-carboxylate CAS Name: 3-[[4-[2-[(E)-amino(hydroxyimino)methyl]phenyl]phenyl]methyl]-2-(methylthio)-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]-2-methylsulfanylbenzimidazole-4-carboxylate Traditional Name: 3-[4-[2-[(E)-aminocarbohydroximoyl]phenyl]benzyl]-2-(methylthio)benzimidazole-4-carboxylic acid methyl ester Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C(=NO)N)SC

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4/C(=N\O)/N)SC

InChI

InChI=1S/C24H22N4O3S/c1-31-23(29)19-8-5-9-20-21(19)28(24(26-20)32-2)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22(25)27-30/h3-13,30H,14H2,1-2H3,(H2,25,27)