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

Systemtic Name: 3,5-bis(iodanyl)-2-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-diiodo-2-[(4-isopropylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-diiodo-2-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-diiodo-2-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-(cumoylthiocarbamoylamino)-3,5-diiodo-benzoic acid Formula: C18H16I2N2O3S MolecularWeight: 594.20518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16I2N2O3S/c1-9(2)10-3-5-11(6-4-10)16(23)22-18(26)21-15-13(17(24)25)7-12(19)8-14(15)20/h3-9H,1-2H3,(H,24,25)(H2,21,22,23,26)