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

Systemtic Name: 9-(4-methylphenyl)carbothioyl-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Openeye Name: 6-benzyl-9-(4-methylbenzenecarbothioyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid CAS Name: 9-[(4-methylphenyl)-sulfanylidenemethyl]-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid IUPAC Name: 6-benzyl-9-(4-methylbenzenecarbothioyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Traditional Name: 6-benzyl-9-(4-methylthiobenzoyl)-1,2,3,4-tetrahydrocarbazole-3-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(CC(CC3)C(=O)O)C4=C2C=CC(=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)N2C3=C(CC(CC3)C(=O)O)C4=C2C=CC(=C4)CC5=CC=CC=C5

InChI

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