[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1SCC2=CSC=N2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1SCC2=CSC=N2

InChI

InChI=1S/C17H19N3O4S2/c1-10(2)14(15(21)20-17(18)23)24-16(22)12-5-3-4-6-13(12)26-8-11-7-25-9-19-11/h3-7,9-10,14H,8H2,1-2H3,(H3,18,20,21,23)