methyl 2-[4-[(4-fluorophenyl)methylcarbamothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(4-fluorophenyl)methylcarbamothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(4-fluorophenyl)methylcarbamothioylamino]phenyl]acetate CAS Name: 2-[4-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-fluorophenyl)methylcarbamothioylamino]phenyl]acetate Traditional Name: 2-[4-[(4-fluorobenzyl)thiocarbamoylamino]phenyl]acetic acid methyl ester Formula: C17H17FN2O2S MolecularWeight: 332.392483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H17FN2O2S/c1-22-16(21)10-12-4-8-15(9-5-12)20-17(23)19-11-13-2-6-14(18)7-3-13/h2-9H,10-11H2,1H3,(H2,19,20,23)