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

Systemtic Name: 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamothioyl]benzoic acid Openeye Name: 4-[(1,1,4,4-tetramethyltetralin-6-yl)carbamothioyl]benzoic acid CAS Name: 4-[sulfanylidene-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]methyl]benzoic acid IUPAC Name: 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamothioyl]benzoic acid Traditional Name: 4-[(1,1,4,4-tetramethyltetralin-6-yl)thiocarbamoyl]benzoic acid Formula: C22H25NO2S MolecularWeight: 367.5044

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)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO2S/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(26)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,23,26)(H,24,25)