9-(4-methylphenyl)carbothioyl-6-(phenylmethyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid

Systemtic Name: 9-(4-methylphenyl)carbothioyl-6-(phenylmethyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Openeye Name: 6-benzyl-9-(4-methylbenzenecarbothioyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid CAS Name: 9-[(4-methylphenyl)-sulfanylidenemethyl]-6-(phenylmethyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid IUPAC Name: 6-benzyl-9-(4-methylbenzenecarbothioyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Traditional Name: 6-benzyl-9-(4-methylthiobenzoyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Formula: C29H25NO4S MolecularWeight: 483.5781

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H25NO4S/c1-18-7-10-21(11-8-18)26(35)30-24-12-9-20(15-19-5-3-2-4-6-19)16-22(24)23-17-29(27(31)32,28(33)34)14-13-25(23)30/h2-12,16H,13-15,17H2,1H3,(H,31,32)(H,33,34)