9-(4-methylphenyl)carbothioyl-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid

Systemtic Name: 9-(4-methylphenyl)carbothioyl-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Openeye Name: 6-benzyl-9-(4-methylbenzenecarbothioyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid CAS Name: 9-[(4-methylphenyl)-sulfanylidenemethyl]-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid IUPAC Name: 6-benzyl-9-(4-methylbenzenecarbothioyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Traditional Name: 6-benzyl-9-(4-methylthiobenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Formula: C28H25NO2S MolecularWeight: 439.5686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)N2C3=C(C(CCC3)C(=O)O)C4=C2C=CC(=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)N2C3=C(C(CCC3)C(=O)O)C4=C2C=CC(=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H25NO2S/c1-18-10-13-21(14-11-18)27(32)29-24-15-12-20(16-19-6-3-2-4-7-19)17-23(24)26-22(28(30)31)8-5-9-25(26)29/h2-4,6-7,10-15,17,22H,5,8-9,16H2,1H3,(H,30,31)