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

Systemtic Name: propyl 4-[2-[2-[(3-iodanyl-4-methoxy-phenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: propyl 4-[2-[2-[(3-iodo-4-methoxy-benzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(3-iodo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-[2-[(3-iodo-4-methoxybenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-[(3-iodo-4-methoxy-benzoyl)thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid propyl ester Formula: C21H22IN3O6S MolecularWeight: 571.38535

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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)OC)I

Isomeric SMILES

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

InChI

InChI=1S/C21H22IN3O6S/c1-3-10-30-20(28)13-4-7-15(8-5-13)31-12-18(26)24-25-21(32)23-19(27)14-6-9-17(29-2)16(22)11-14/h4-9,11H,3,10,12H2,1-2H3,(H,24,26)(H2,23,25,27,32)