methyl 5-methyl-2-(phenylcarbonylcarbamothioylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 5-methyl-2-(phenylcarbonylcarbamothioylamino)-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-(benzoylcarbamothioylamino)-5-methyl-thiazole-4-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-5-methyl-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzoylcarbamothioylamino)-5-methyl-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-5-methyl-thiazole-4-carboxylic acid methyl ester Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=S)NC(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(N=C(S1)NC(=S)NC(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H13N3O3S2/c1-8-10(12(19)20-2)15-14(22-8)17-13(21)16-11(18)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,15,16,17,18,21)