5-[2,5-dimethyl-4-(phenylcarbamothioylamino)phenoxy]-2,2-dimethyl-pentanoic acid

Systemtic Name: 5-[2,5-dimethyl-4-(phenylcarbamothioylamino)phenoxy]-2,2-dimethyl-pentanoic acid Openeye Name: 5-[2,5-dimethyl-4-(phenylcarbamothioylamino)phenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[4-[[anilino(sulfanylidene)methyl]amino]-2,5-dimethylphenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[2,5-dimethyl-4-(phenylcarbamothioylamino)phenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[2,5-dimethyl-4-(phenylthiocarbamoylamino)phenoxy]-2,2-dimethyl-valeric acid Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCCCC(C)(C)C(=O)O)C)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1OCCCC(C)(C)C(=O)O)C)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3S/c1-15-14-19(27-12-8-11-22(3,4)20(25)26)16(2)13-18(15)24-21(28)23-17-9-6-5-7-10-17/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,25,26)(H2,23,24,28)