methyl 4-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]benzoate CAS Name: 4-[[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]benzoate Traditional Name: 4-[[(4-fluorobenzyl)thiocarbamoylamino]carbamoyl]benzoic acid methyl ester Formula: C17H16FN3O3S MolecularWeight: 361.390643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN3O3S/c1-24-16(23)13-6-4-12(5-7-13)15(22)20-21-17(25)19-10-11-2-8-14(18)9-3-11/h2-9H,10H2,1H3,(H,20,22)(H2,19,21,25)