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

Systemtic Name: propyl 4-[2-[2-(octanoylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: propyl 4-[2-[2-(octanoylcarbamothioyl)hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[(1-oxooctylamino)-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-[2-(octanoylcarbamothioyl)hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-(caprylylthiocarbamoyl)hydrazino]-2-keto-ethoxy]benzoic acid propyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C(=O)OCCC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C(=O)OCCC

InChI

InChI=1S/C21H31N3O5S/c1-3-5-6-7-8-9-18(25)22-21(30)24-23-19(26)15-29-17-12-10-16(11-13-17)20(27)28-14-4-2/h10-13H,3-9,14-15H2,1-2H3,(H,23,26)(H2,22,24,25,30)