3-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(2-chloro-5-iodobenzoyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]-2-methyl-benzoic acid Formula: C16H12ClIN2O3S MolecularWeight: 474.70055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C(=O)O

InChI

InChI=1S/C16H12ClIN2O3S/c1-8-10(15(22)23)3-2-4-13(8)19-16(24)20-14(21)11-7-9(18)5-6-12(11)17/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)