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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[2-[(3-phenethyloxyphenyl)carbonylcarbamothioyl]hydrazinyl]ethoxy]benzoate Openeye Name: ethyl 4-[2-oxo-2-[2-[(3-phenethyloxybenzoyl)carbamothioyl]hydrazino]ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[2-[(3-phenethyloxybenzoyl)carbamothioyl]hydrazinyl]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[N'-[(3-phenethyloxybenzoyl)thiocarbamoyl]hydrazino]ethoxy]benzoic acid ethyl ester Formula: C27H27N3O6S MolecularWeight: 521.58478

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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)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O6S/c1-2-34-26(33)20-11-13-22(14-12-20)36-18-24(31)29-30-27(37)28-25(32)21-9-6-10-23(17-21)35-16-15-19-7-4-3-5-8-19/h3-14,17H,2,15-16,18H2,1H3,(H,29,31)(H2,28,30,32,37)