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

Systemtic Name: propyl 4-[2-[2-(3-cyclohexylpropanoylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: propyl 4-[2-[2-(3-cyclohexylpropanoylcarbamothioyl)hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-[2-(3-cyclohexylpropanoylcarbamothioyl)hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-(3-cyclohexylpropanoylthiocarbamoyl)hydrazino]-2-keto-ethoxy]benzoic acid propyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2CCCCC2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C22H31N3O5S/c1-2-14-29-21(28)17-9-11-18(12-10-17)30-15-20(27)24-25-22(31)23-19(26)13-8-16-6-4-3-5-7-16/h9-12,16H,2-8,13-15H2,1H3,(H,24,27)(H2,23,25,26,31)