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

Systemtic Name: ethyl 4-[2-[2-(3-cyclohexylpropanoylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[2-[2-(3-cyclohexylpropanoylcarbamothioyl)hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-(3-cyclohexylpropanoylthiocarbamoyl)hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S/c1-2-28-20(27)16-9-11-17(12-10-16)29-14-19(26)23-24-21(30)22-18(25)13-8-15-6-4-3-5-7-15/h9-12,15H,2-8,13-14H2,1H3,(H,23,26)(H2,22,24,25,30)