2-methyl-7-[[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl]-2-propylsulfanyl-benzimidazole-4-carboxylate

Systemtic Name: 2-methyl-7-[[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl]-2-propylsulfanyl-benzimidazole-4-carboxylate Openeye Name: 7-[[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]-2-methyl-2-propylsulfanyl-benzimidazole-4-carboxylate CAS Name: 7-[[4-[2-[(E)-amino(hydroxyimino)methyl]phenyl]phenyl]methyl]-2-methyl-2-(propylthio)-4-benzimidazolecarboxylate IUPAC Name: 7-[[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]-2-methyl-2-propylsulfanylbenzimidazole-4-carboxylate Traditional Name: 7-[4-[2-[(E)-aminocarbohydroximoyl]phenyl]benzyl]-2-methyl-2-(propylthio)benzimidazole-4-carboxylate Formula: C26H25N4O3S- MolecularWeight: 473.5667

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1(N=C2C(=CC=C(C2=N1)C(=O)[O-])CC3=CC=C(C=C3)C4=CC=CC=C4C(=NO)N)C

Isomeric SMILES

CCCSC1(N=C2C(=CC=C(C2=N1)C(=O)[O-])CC3=CC=C(C=C3)C4=CC=CC=C4/C(=N\O)/N)C

InChI

InChI=1S/C26H26N4O3S/c1-3-14-34-26(2)28-22-18(12-13-21(25(31)32)23(22)29-26)15-16-8-10-17(11-9-16)19-6-4-5-7-20(19)24(27)30-33/h4-13,33H,3,14-15H2,1-2H3,(H2,27,30)(H,31,32)/p-1