methyl 5-[[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(3-chloro-4-fluoro-phenyl)carbamothioylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(3-chloro-4-fluorophenyl)carbamothioylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C17H16ClFN2O3S MolecularWeight: 382.836943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)OC

InChI

InChI=1S/C17H16ClFN2O3S/c1-23-15-6-3-10(7-12(15)16(22)24-2)9-20-17(25)21-11-4-5-14(19)13(18)8-11/h3-8H,9H2,1-2H3,(H2,20,21,25)