propyl 4-[2-[2-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: propyl 4-[2-[2-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: propyl 4-[2-[2-[(3-iodo-4-methyl-benzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(3-iodo-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-[2-[(3-iodo-4-methylbenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-[(3-iodo-4-methyl-benzoyl)thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid propyl ester Formula: C21H22IN3O5S MolecularWeight: 555.38595

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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(=C(C=C2)C)I

Isomeric SMILES

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

InChI

InChI=1S/C21H22IN3O5S/c1-3-10-29-20(28)14-6-8-16(9-7-14)30-12-18(26)24-25-21(31)23-19(27)15-5-4-13(2)17(22)11-15/h4-9,11H,3,10,12H2,1-2H3,(H,24,26)(H2,23,25,27,31)