2-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(3,4-dichlorobenzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(3,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(3,4-dichlorobenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(3,4-dichlorobenzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C15H8Cl2I2N2O3S MolecularWeight: 621.01556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)Cl)Cl

InChI

InChI=1S/C15H8Cl2I2N2O3S/c16-9-2-1-6(3-10(9)17)13(22)21-15(25)20-12-8(14(23)24)4-7(18)5-11(12)19/h1-5H,(H,23,24)(H2,20,21,22,25)