4-[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]sulfanylcarbonylamino]benzoic acid

Systemtic Name: 4-[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]sulfanylcarbonylamino]benzoic acid Openeye Name: 4-[[5,5-dimethyl-8-(p-tolyl)-6H-naphthalen-2-yl]sulfanylcarbonylamino]benzoic acid CAS Name: 4-[[[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]thio]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]sulfanylcarbonylamino]benzoic acid Traditional Name: 4-[[[5,5-dimethyl-8-(p-tolyl)-6H-naphthalen-2-yl]thio]carbonylamino]benzoic acid Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)SC(=O)NC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)SC(=O)NC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C27H25NO3S/c1-17-4-6-18(7-5-17)22-14-15-27(2,3)24-13-12-21(16-23(22)24)32-26(31)28-20-10-8-19(9-11-20)25(29)30/h4-14,16H,15H2,1-3H3,(H,28,31)(H,29,30)