3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-tert-butylbenzoyl)thiocarbamoylamino]benzoic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S/c1-19(2,3)14-9-7-12(8-10-14)16(22)21-18(25)20-15-6-4-5-13(11-15)17(23)24/h4-11H,1-3H3,(H,23,24)(H2,20,21,22,25)