ethyl 4-[2-[2-[2-(2-methylphenyl)ethanoylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: ethyl 4-[2-[2-[2-(2-methylphenyl)ethanoylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-[[2-(o-tolyl)acetyl]carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[[2-(2-methylphenyl)acetyl]carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-[N'-[[2-(o-tolyl)acetyl]thiocarbamoyl]hydrazino]ethoxy]benzoic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC2=CC=CC=C2C

InChI

InChI=1S/C21H23N3O5S/c1-3-28-20(27)15-8-10-17(11-9-15)29-13-19(26)23-24-21(30)22-18(25)12-16-7-5-4-6-14(16)2/h4-11H,3,12-13H2,1-2H3,(H,23,26)(H2,22,24,25,30)