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

Systemtic Name: (phenylmethyl) 9-(4-methylphenyl)carbothioyl-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 6-benzyl-9-(4-methylbenzenecarbothioyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 9-[(4-methylphenyl)-sulfanylidenemethyl]-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-benzyl-9-(4-methylbenzenecarbothioyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 6-benzyl-9-(4-methylthiobenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C35H31NO2S MolecularWeight: 529.69114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)N2C3=C(CC(CC3)C(=O)OCC4=CC=CC=C4)C5=C2C=CC(=C5)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)N2C3=C(CC(CC3)C(=O)OCC4=CC=CC=C4)C5=C2C=CC(=C5)CC6=CC=CC=C6

InChI

InChI=1S/C35H31NO2S/c1-24-12-15-28(16-13-24)34(39)36-32-18-14-27(20-25-8-4-2-5-9-25)21-30(32)31-22-29(17-19-33(31)36)35(37)38-23-26-10-6-3-7-11-26/h2-16,18,21,29H,17,19-20,22-23H2,1H3