methyl 4-(1,3-thiazol-2-ylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(1,3-thiazol-2-ylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(thiazol-2-ylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[oxo-[[sulfanylidene-(2-thiazolylamino)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(1,3-thiazol-2-ylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(thiazol-2-ylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=CS2

InChI

InChI=1S/C13H11N3O3S2/c1-19-11(18)9-4-2-8(3-5-9)10(17)15-12(20)16-13-14-6-7-21-13/h2-7H,1H3,(H2,14,15,16,17,20)