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

Systemtic Name: ethyl 4-[2-[2-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H20IN3O5S MolecularWeight: 541.35937

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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(=C(C=C2)C)I

Isomeric SMILES

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

InChI

InChI=1S/C20H20IN3O5S/c1-3-28-19(27)13-6-8-15(9-7-13)29-11-17(25)23-24-20(30)22-18(26)14-5-4-12(2)16(21)10-14/h4-10H,3,11H2,1-2H3,(H,23,25)(H2,22,24,26,30)