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

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-4-chloro-benzoic acid CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-4-chlorobenzoic acid Traditional Name: 3-[(4-tert-butylbenzoyl)thiocarbamoylamino]-4-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=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

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

InChI

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