2-[(2-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-[(2-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(2-chloro-4-methyl-benzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(2-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(2-chloro-4-methylbenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(2-chloro-4-methyl-benzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C16H11ClI2N2O3S MolecularWeight: 600.59708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)Cl

InChI

InChI=1S/C16H11ClI2N2O3S/c1-7-2-3-9(11(17)4-7)14(22)21-16(25)20-13-10(15(23)24)5-8(18)6-12(13)19/h2-6H,1H3,(H,23,24)(H2,20,21,22,25)