[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H18N4O4S3 MolecularWeight: 426.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SC

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SC

InChI

InChI=1S/C16H18N4O4S3/c1-9(2)17-14(23)18-12(21)8-24-13(22)10-4-6-11(7-5-10)20-16(25)27-15(19-20)26-3/h4-7,9H,8H2,1-3H3,(H2,17,18,21,23)