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

Systemtic Name: phenyl 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzimidazole-1-carboxylate Openeye Name: phenyl 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanylbenzimidazole-1-carboxylate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-1-benzimidazolecarboxylic acid phenyl ester IUPAC Name: phenyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]benzimidazole-1-carboxylic acid phenyl ester Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O3S/c23-15-10-12-16(13-11-15)24-20(27)14-30-21-25-18-8-4-5-9-19(18)26(21)22(28)29-17-6-2-1-3-7-17/h1-13H,14H2,(H,24,27)