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

Systemtic Name: methyl 2-[(4-chlorophenyl)carbonylcarbamothioylamino]-5-methyl-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[(4-chlorobenzoyl)carbamothioylamino]-5-methyl-thiazole-4-carboxylate CAS Name: 2-[[[[(4-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorobenzoyl)carbamothioylamino]-5-methyl-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-chlorobenzoyl)thiocarbamoylamino]-5-methyl-thiazole-4-carboxylic acid methyl ester Formula: C14H12ClN3O3S2 MolecularWeight: 369.84638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN3O3S2/c1-7-10(12(20)21-2)16-14(23-7)18-13(22)17-11(19)8-3-5-9(15)6-4-8/h3-6H,1-2H3,(H2,16,17,18,19,22)