ethyl 4-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazino]-4-oxo-butanoate CAS Name: 4-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazo]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-[(4-fluorobenzyl)thiocarbamoyl]hydrazino]-4-keto-butyric acid ethyl ester Formula: C14H18FN3O3S MolecularWeight: 327.374423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NNC(=S)NCC1=CC=C(C=C1)F

Isomeric SMILES

CCOC(=O)CCC(=O)NNC(=S)NCC1=CC=C(C=C1)F

InChI

InChI=1S/C14H18FN3O3S/c1-2-21-13(20)8-7-12(19)17-18-14(22)16-9-10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,17,19)(H2,16,18,22)