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

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoylamino]-5-iodo-benzoic acid Formula: C19H19IN2O3S MolecularWeight: 482.33523

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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=C2)I)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H19IN2O3S/c1-19(2,3)12-6-4-11(5-7-12)16(23)22-18(26)21-15-9-8-13(20)10-14(15)17(24)25/h4-10H,1-3H3,(H,24,25)(H2,21,22,23,26)