[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 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 [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 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 (1-allophanoyl-2-methyl-propyl) ester Formula: C16H18N4O4S3 MolecularWeight: 426.53352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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