2-methylpropyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-methylpropyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: isobutyl 2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid isobutyl ester Formula: C16H17ClFN3O2S2 MolecularWeight: 401.906483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)OCC(C)C

InChI

InChI=1S/C16H17ClFN3O2S2/c1-8(2)7-23-14(22)13-9(3)19-16(25-13)21-15(24)20-10-4-5-12(18)11(17)6-10/h4-6,8H,7H2,1-3H3,(H2,19,20,21,24)