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

Systemtic Name: 2-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[(3,4-dimethylbenzoyl)carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(3,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[(3,4-dimethylbenzoyl)carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[(3,4-dimethylbenzoyl)thiocarbamoylamino]-5-iodo-benzoic acid Formula: C17H15IN2O3S MolecularWeight: 454.28207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)C

InChI

InChI=1S/C17H15IN2O3S/c1-9-3-4-11(7-10(9)2)15(21)20-17(24)19-14-6-5-12(18)8-13(14)16(22)23/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,24)