methyl 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-4-fluorophenyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C16H14ClFN2O2S MolecularWeight: 352.810963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H14ClFN2O2S/c1-9-3-4-10(15(21)22-2)7-14(9)20-16(23)19-11-5-6-13(18)12(17)8-11/h3-8H,1-2H3,(H2,19,20,23)