ethyl 1-ethyl-2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-oxo-2-(p-tolylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-[(4-methylbenzyl)amino]ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C22H25N3O3S/c1-4-25-19-11-10-17(21(27)28-5-2)12-18(19)24-22(25)29-14-20(26)23-13-16-8-6-15(3)7-9-16/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)