(phenylmethyl) 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzimidazole-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzimidazole-1-carboxylate Openeye Name: benzyl 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanylbenzimidazole-1-carboxylate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-1-benzimidazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]benzimidazole-1-carboxylic acid benzyl ester Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H18ClN3O3S/c24-17-10-12-18(13-11-17)25-21(28)15-31-22-26-19-8-4-5-9-20(19)27(22)23(29)30-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,28)