ethyl 1-ethyl-2-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-(isoamylcarbamoylamino)-2-keto-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC(=O)NCCC(C)C

InChI

InChI=1S/C20H28N4O4S/c1-5-24-16-8-7-14(18(26)28-6-2)11-15(16)22-20(24)29-12-17(25)23-19(27)21-10-9-13(3)4/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H2,21,23,25,27)