2-[3-[(Z)-N-[(4-fluorophenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]phenoxy]ethanoate

Systemtic Name: 2-[3-[(Z)-N-[(4-fluorophenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]phenoxy]ethanoate Openeye Name: 2-[3-[(Z)-N-[(4-fluorophenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]phenoxy]acetate CAS Name: 2-[3-[(1Z)-1-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazinylidene]ethyl]phenoxy]acetate IUPAC Name: 2-[3-[(Z)-N-[(4-fluorophenyl)methylcarbamothioylamino]-C-methylcarbonimidoyl]phenoxy]acetate Traditional Name: 2-[3-[(Z)-N-[(4-fluorobenzyl)thiocarbamoylamino]-C-methyl-carbonimidoyl]phenoxy]acetate Formula: C18H17FN3O3S- MolecularWeight: 374.409283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=C(C=C1)F)C2=CC(=CC=C2)OCC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC=C(C=C1)F)/C2=CC(=CC=C2)OCC(=O)[O-]

InChI

InChI=1S/C18H18FN3O3S/c1-12(14-3-2-4-16(9-14)25-11-17(23)24)21-22-18(26)20-10-13-5-7-15(19)8-6-13/h2-9H,10-11H2,1H3,(H,23,24)(H2,20,22,26)/p-1/b21-12-