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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=C(C=C2)C(C)(C)C

InChI

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