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

Systemtic Name: propyl 4-[2-oxidanylidene-2-[2-[(2-propan-2-yloxyphenyl)carbonylcarbamothioyl]hydrazinyl]ethoxy]benzoate Openeye Name: propyl 4-[2-[2-[(2-isopropoxybenzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[[[oxo-(2-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-oxo-2-[2-[(2-propan-2-yloxybenzoyl)carbamothioyl]hydrazinyl]ethoxy]benzoate Traditional Name: 4-[2-[N'-[(2-isopropoxybenzoyl)thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid propyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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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=C2OC(C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2OC(C)C

InChI

InChI=1S/C23H27N3O6S/c1-4-13-30-22(29)16-9-11-17(12-10-16)31-14-20(27)25-26-23(33)24-21(28)18-7-5-6-8-19(18)32-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,25,27)(H2,24,26,28,33)