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

Systemtic Name: 5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[(4-tert-butylbenzoyl)carbamothioylamino]-2-chloro-benzoic acid CAS Name: 5-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[(4-tert-butylbenzoyl)carbamothioylamino]-2-chlorobenzoic acid Traditional Name: 5-[(4-tert-butylbenzoyl)thiocarbamoylamino]-2-chloro-benzoic acid Formula: C19H19ClN2O3S MolecularWeight: 390.88376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O3S/c1-19(2,3)12-6-4-11(5-7-12)16(23)22-18(26)21-13-8-9-15(20)14(10-13)17(24)25/h4-10H,1-3H3,(H,24,25)(H2,21,22,23,26)