3-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-4-chloro-benzoic acid CAS Name: 3-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-4-chlorobenzoic acid Traditional Name: 3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]-4-chloro-benzoic acid Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c1-20(2,3)13-5-7-14(8-6-13)27-11-17(24)23-19(28)22-16-10-12(18(25)26)4-9-15(16)21/h4-10H,11H2,1-3H3,(H,25,26)(H2,22,23,24,28)