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

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H24N2O4S/c1-13-16(19(25)26)6-5-7-17(13)22-20(28)23-18(24)12-27-15-10-8-14(9-11-15)21(2,3)4/h5-11H,12H2,1-4H3,(H,25,26)(H2,22,23,24,28)