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

Systemtic Name: (phenylmethyl) 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C19H15ClFN3O2S2 MolecularWeight: 435.922703

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H15ClFN3O2S2/c1-11-16(17(25)26-10-12-5-3-2-4-6-12)28-19(22-11)24-18(27)23-13-7-8-15(21)14(20)9-13/h2-9H,10H2,1H3,(H2,22,23,24,27)