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

Systemtic Name: propyl 4-[2-[2-[(2-methylphenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: propyl 4-[2-[2-[(2-methylbenzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-[2-[(2-methylbenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-[N'-(o-toluoylthiocarbamoyl)hydrazino]ethoxy]benzoic acid propyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2C

InChI

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