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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[2-[(4-propoxyphenyl)carbonylcarbamothioyl]hydrazinyl]ethoxy]benzoate Openeye Name: ethyl 4-[2-oxo-2-[2-[(4-propoxybenzoyl)carbamothioyl]hydrazino]ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[2-[(4-propoxybenzoyl)carbamothioyl]hydrazinyl]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[N'-[(4-propoxybenzoyl)thiocarbamoyl]hydrazino]ethoxy]benzoic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C22H25N3O6S/c1-3-13-30-17-9-5-15(6-10-17)20(27)23-22(32)25-24-19(26)14-31-18-11-7-16(8-12-18)21(28)29-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,24,26)(H2,23,25,27,32)