5-iodanyl-2-[(3-methylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-iodanyl-2-[(3-methylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-iodo-2-[(3-methylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-iodo-2-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-iodo-2-[(3-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-iodo-2-(m-toluoylthiocarbamoylamino)benzoic acid Formula: C16H13IN2O3S MolecularWeight: 440.25549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C16H13IN2O3S/c1-9-3-2-4-10(7-9)14(20)19-16(23)18-13-6-5-11(17)8-12(13)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)