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

Systemtic Name: ethyl 4-methyl-2-(phenylcarbamothioylamino)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-(phenylcarbamothioylamino)thiazole-5-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(phenylcarbamothioylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(phenylthiocarbamoylamino)thiazole-5-carboxylic acid ethyl ester Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O2S2/c1-3-19-12(18)11-9(2)15-14(21-11)17-13(20)16-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,15,16,17,20)