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

Systemtic Name: methyl 5-[[(4-fluorophenyl)methylcarbamothioylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(4-fluorophenyl)methylcarbamothioylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(4-fluorophenyl)methylcarbamothioylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(4-fluorobenzyl)thiocarbamoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C18H19FN2O3S MolecularWeight: 362.418463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C18H19FN2O3S/c1-23-16-8-5-13(9-15(16)17(22)24-2)11-21-18(25)20-10-12-3-6-14(19)7-4-12/h3-9H,10-11H2,1-2H3,(H2,20,21,25)