3-[3-(4-propan-2-ylphenyl)-2-sulfanylidene-imidazolidin-1-yl]benzoic acid

Systemtic Name: 3-[3-(4-propan-2-ylphenyl)-2-sulfanylidene-imidazolidin-1-yl]benzoic acid Openeye Name: 3-[3-(4-isopropylphenyl)-2-thioxo-imidazolidin-1-yl]benzoic acid CAS Name: 3-[3-(4-propan-2-ylphenyl)-2-sulfanylidene-1-imidazolidinyl]benzoic acid IUPAC Name: 3-[3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-1-yl]benzoic acid Traditional Name: 3-(3-p-cumenyl-2-thioxo-imidazolidin-1-yl)benzoic acid Formula: C19H20N2O2S MolecularWeight: 340.4393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2CCN(C2=S)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2CCN(C2=S)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H20N2O2S/c1-13(2)14-6-8-16(9-7-14)20-10-11-21(19(20)24)17-5-3-4-15(12-17)18(22)23/h3-9,12-13H,10-11H2,1-2H3,(H,22,23)