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

Systemtic Name: propyl 4-[(3-iodanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-iodo-4-methoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-iodo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-iodo-4-methoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-iodo-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C19H19IN2O4S MolecularWeight: 498.33463

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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)OC)I

Isomeric SMILES

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

InChI

InChI=1S/C19H19IN2O4S/c1-3-10-26-18(24)12-4-7-14(8-5-12)21-19(27)22-17(23)13-6-9-16(25-2)15(20)11-13/h4-9,11H,3,10H2,1-2H3,(H2,21,22,23,27)