butyl 4-[(2-iodanylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(2-iodanylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(2-iodobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-iodobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-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=C2I

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2I

InChI

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