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

Systemtic Name: propyl 4-[2-oxidanylidene-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethoxy]benzoate Openeye Name: propyl 4-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazino]ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[(1-oxopentylamino)-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[N'-(valerylthiocarbamoyl)hydrazino]ethoxy]benzoic acid propyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-3-5-6-15(22)19-18(27)21-20-16(23)12-26-14-9-7-13(8-10-14)17(24)25-11-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,20,23)(H2,19,21,22,27)