methyl 4-(diethylcarbamothioylsulfanyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(diethylcarbamothioylsulfanyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl 4-(diethylcarbamothioylsulfanyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[[diethylamino(sulfanylidene)methyl]thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(diethylcarbamothioylsulfanyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-(diethylthiocarbamoylthio)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)OC

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)OC

InChI

InChI=1S/C17H21N3O3S2/c1-4-20(5-2)17(24)25-10-13(21)14(16(22)23-3)15-18-11-8-6-7-9-12(11)19-15/h6-9,18-19H,4-5,10H2,1-3H3