2-methyl-2-[4-[2-[3-(phenylcarbamothioylamino)phenyl]ethyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[4-[2-[3-(phenylcarbamothioylamino)phenyl]ethyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[2-[3-(phenylcarbamothioylamino)phenyl]ethyl]phenoxy]propanoic acid CAS Name: 2-[4-[2-[3-[[anilino(sulfanylidene)methyl]amino]phenyl]ethyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-methyl-2-[4-[2-[3-(phenylcarbamothioylamino)phenyl]ethyl]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[4-[2-[3-(phenylthiocarbamoylamino)phenyl]ethyl]phenoxy]propionic acid Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)CCC2=CC(=CC=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)CCC2=CC(=CC=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O3S/c1-25(2,23(28)29)30-22-15-13-18(14-16-22)11-12-19-7-6-10-21(17-19)27-24(31)26-20-8-4-3-5-9-20/h3-10,13-17H,11-12H2,1-2H3,(H,28,29)(H2,26,27,31)