ethyl 2-[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H28N4O3S/c1-4-26-18-10-9-16(20(28)29-5-2)13-17(18)24-21(26)30-15(3)19(27)25-22(14-23)11-7-6-8-12-22/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,25,27)