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

Systemtic Name: butyl 4-[(3-iodanylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(3-iodobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-iodobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-iodobenzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C19H19IN2O3S MolecularWeight: 482.33523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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