ethyl 2-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C16H16ClN3O3S3 MolecularWeight: 429.96454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H16ClN3O3S3/c1-3-23-14(22)13-9(2)18-16(26-13)20-15(24)19-12(21)8-25-11-6-4-10(17)5-7-11/h4-7H,3,8H2,1-2H3,(H2,18,19,20,21,24)