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

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C19H18I2N2O3S MolecularWeight: 608.23176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18I2N2O3S/c1-19(2,3)11-6-4-10(5-7-11)16(24)23-18(27)22-15-13(17(25)26)8-12(20)9-14(15)21/h4-9H,1-3H3,(H,25,26)(H2,22,23,24,27)