2-fluoranyl-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamothioyl]benzoic acid

Systemtic Name: 2-fluoranyl-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamothioyl]benzoic acid Openeye Name: 2-fluoro-4-[(1,1,4,4-tetramethyltetralin-6-yl)carbamothioyl]benzoic acid CAS Name: 2-fluoro-4-[sulfanylidene-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]methyl]benzoic acid IUPAC Name: 2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamothioyl]benzoic acid Traditional Name: 2-fluoro-4-[(1,1,4,4-tetramethyltetralin-6-yl)thiocarbamoyl]benzoic acid Formula: C22H24FNO2S MolecularWeight: 385.494863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)NC(=S)C3=CC(=C(C=C3)C(=O)O)F)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)NC(=S)C3=CC(=C(C=C3)C(=O)O)F)(C)C)C

InChI

InChI=1S/C22H24FNO2S/c1-21(2)9-10-22(3,4)17-12-14(6-8-16(17)21)24-19(27)13-5-7-15(20(25)26)18(23)11-13/h5-8,11-12H,9-10H2,1-4H3,(H,24,27)(H,25,26)