2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[(4-butoxybenzoyl)carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[(4-butoxybenzoyl)carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[(4-butoxybenzoyl)thiocarbamoylamino]-5-iodo-benzoic acid Formula: C19H19IN2O4S MolecularWeight: 498.33463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

InChI

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