2-[4-[4-(4-carbamothioylphenyl)-2-methyl-4-oxidanylidene-butanoyl]phenoxy]butanoic acid

Systemtic Name: 2-[4-[4-(4-carbamothioylphenyl)-2-methyl-4-oxidanylidene-butanoyl]phenoxy]butanoic acid Openeye Name: 2-[4-[4-(4-carbamothioylphenyl)-2-methyl-4-oxo-butanoyl]phenoxy]butanoic acid CAS Name: 2-[4-[4-(4-carbamothioylphenyl)-2-methyl-1,4-dioxobutyl]phenoxy]butanoic acid IUPAC Name: 2-[4-[4-(4-carbamothioylphenyl)-2-methyl-4-oxobutanoyl]phenoxy]butanoic acid Traditional Name: 2-[4-[4-keto-2-methyl-4-(4-thiocarbamoylphenyl)butanoyl]phenoxy]butyric acid Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=C(C=C1)C(=O)C(C)CC(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CCC(C(=O)O)OC1=CC=C(C=C1)C(=O)C(C)CC(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C22H23NO5S/c1-3-19(22(26)27)28-17-10-8-15(9-11-17)20(25)13(2)12-18(24)14-4-6-16(7-5-14)21(23)29/h4-11,13,19H,3,12H2,1-2H3,(H2,23,29)(H,26,27)