propyl 4-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-iodo-4-methyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-iodo-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-iodo-4-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-iodo-4-methyl-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C19H19IN2O3S MolecularWeight: 482.33523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19IN2O3S/c1-3-10-25-18(24)13-6-8-15(9-7-13)21-19(26)22-17(23)14-5-4-12(2)16(20)11-14/h4-9,11H,3,10H2,1-2H3,(H2,21,22,23,26)