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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C(=S)NC3=CC=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C(=S)NC3=CC=C(C=C3)C(=O)O)(C)C)C

InChI

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