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

Systemtic Name: 2-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(3,4-dimethylbenzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(3,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(3,4-dimethylbenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(3,4-dimethylbenzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C17H14I2N2O3S MolecularWeight: 580.1786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14I2N2O3S/c1-8-3-4-10(5-9(8)2)15(22)21-17(25)20-14-12(16(23)24)6-11(18)7-13(14)19/h3-7H,1-2H3,(H,23,24)(H2,20,21,22,25)