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

Systemtic Name: methyl 2-[[4-[(4-fluorophenyl)methylcarbamothioylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[(4-fluorophenyl)methylcarbamothioylamino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-fluorophenyl)methylcarbamothioylamino]benzoyl]amino]acetate Traditional Name: 2-[[4-[(4-fluorobenzyl)thiocarbamoylamino]benzoyl]amino]acetic acid methyl ester Formula: C18H18FN3O3S MolecularWeight: 375.417223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O3S/c1-25-16(23)11-20-17(24)13-4-8-15(9-5-13)22-18(26)21-10-12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,20,24)(H2,21,22,26)