ethyl 1-ethyl-2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CC)C=CC(=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CC)C=CC(=C3)C(=O)OCC

InChI

InChI=1S/C22H25N3O3S/c1-4-15-7-10-17(11-8-15)23-20(26)14-29-22-24-18-13-16(21(27)28-6-3)9-12-19(18)25(22)5-2/h7-13H,4-6,14H2,1-3H3,(H,23,26)