methyl 4-azanyl-3-(phenylcarbamoylamino)-2-sulfanylidene-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-azanyl-3-(phenylcarbamoylamino)-2-sulfanylidene-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-amino-3-(phenylcarbamoylamino)-2-thioxo-thiazole-5-carboxylate CAS Name: 4-amino-3-[[anilino(oxo)methyl]amino]-2-sulfanylidene-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-3-(phenylcarbamoylamino)-2-sulfanylidene-1,3-thiazole-5-carboxylate Traditional Name: 4-amino-3-(phenylcarbamoylamino)-2-thioxo-4-thiazoline-5-carboxylic acid methyl ester Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=S)S1)NC(=O)NC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C1=C(N(C(=S)S1)NC(=O)NC2=CC=CC=C2)N

InChI

InChI=1S/C12H12N4O3S2/c1-19-10(17)8-9(13)16(12(20)21-8)15-11(18)14-7-5-3-2-4-6-7/h2-6H,13H2,1H3,(H2,14,15,18)