methyl 5-[[(4-fluorophenyl)carbamothioylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(4-fluorophenyl)carbamothioylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(4-fluorophenyl)carbamothioylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[(4-fluoroanilino)-sulfanylidenemethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(4-fluorophenyl)carbamothioylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(4-fluorophenyl)thiocarbamoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C17H17FN2O3S MolecularWeight: 348.391883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O3S/c1-22-15-8-3-11(9-14(15)16(21)23-2)10-19-17(24)20-13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3,(H2,19,20,24)