propyl 4-[(3-iodanylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(3-iodanylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-iodobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-iodobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-iodobenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C18H17IN2O3S MolecularWeight: 468.30865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17IN2O3S/c1-2-10-24-17(23)12-6-8-15(9-7-12)20-18(25)21-16(22)13-4-3-5-14(19)11-13/h3-9,11H,2,10H2,1H3,(H2,20,21,22,25)