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

Systemtic Name: ethyl 4-[2-[2-[(3-methylphenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-[(3-methylbenzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(3-methylbenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-[N'-(m-toluoylthiocarbamoyl)hydrazino]ethoxy]benzoic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C20H21N3O5S/c1-3-27-19(26)14-7-9-16(10-8-14)28-12-17(24)22-23-20(29)21-18(25)15-6-4-5-13(2)11-15/h4-11H,3,12H2,1-2H3,(H,22,24)(H2,21,23,25,29)