2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-benzimidazole-1-carboxylate

Systemtic Name: 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-benzimidazole-1-carboxylate Openeye Name: 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-4-methyl-benzimidazole-1-carboxylate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-4-methyl-1-benzimidazolecarboxylate IUPAC Name: 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-methylbenzimidazole-1-carboxylate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]-4-methyl-benzimidazole-1-carboxylate Formula: C17H13ClN3O3S- MolecularWeight: 374.82142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C17H14ClN3O3S/c1-10-3-2-4-13-15(10)20-16(21(13)17(23)24)25-9-14(22)19-12-7-5-11(18)6-8-12/h2-8H,9H2,1H3,(H,19,22)(H,23,24)/p-1