[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl 2-propylsulfanyl-1H-benzimidazole-4-carboxylate

Systemtic Name: [4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl 2-propylsulfanyl-1H-benzimidazole-4-carboxylate Openeye Name: [4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl 2-propylsulfanyl-1H-benzimidazole-4-carboxylate CAS Name: 2-(propylthio)-1H-benzimidazole-4-carboxylic acid [4-[2-[(E)-amino(hydroxyimino)methyl]phenyl]phenyl]methyl ester IUPAC Name: [4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl 2-propylsulfanyl-1H-benzimidazole-4-carboxylate Traditional Name: 2-(propylthio)-1H-benzimidazole-4-carboxylic acid [4-[2-[(E)-aminocarbohydroximoyl]phenyl]benzyl] ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C(=NO)N

Isomeric SMILES

CCCSC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4/C(=N\O)/N

InChI

InChI=1S/C25H24N4O3S/c1-2-14-33-25-27-21-9-5-8-20(22(21)28-25)24(30)32-15-16-10-12-17(13-11-16)18-6-3-4-7-19(18)23(26)29-31/h3-13,31H,2,14-15H2,1H3,(H2,26,29)(H,27,28)