propyl 4-[2-[2-(3-methylbutanoylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: propyl 4-[2-[2-(3-methylbutanoylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: propyl 4-[2-[2-(3-methylbutanoylcarbamothioyl)hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-[2-(3-methylbutanoylcarbamothioyl)hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-(isovalerylthiocarbamoyl)hydrazino]-2-keto-ethoxy]benzoic acid propyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C18H25N3O5S/c1-4-9-25-17(24)13-5-7-14(8-6-13)26-11-16(23)20-21-18(27)19-15(22)10-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,20,23)(H2,19,21,22,27)