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

Systemtic Name: (phenylmethyl) 9-(4-methylphenyl)carbothioyl-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Openeye Name: benzyl 6-benzyl-9-(4-methylbenzenecarbothioyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate CAS Name: 9-[(4-methylphenyl)-sulfanylidenemethyl]-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-benzyl-9-(4-methylbenzenecarbothioyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Traditional Name: 6-benzyl-9-(4-methylthiobenzoyl)-1,2,3,4-tetrahydrocarbazole-4-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(C(CCC3)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(C(CCC3)C(=O)OCC4=CC=CC=C4)C5=C2C=CC(=C5)CC6=CC=CC=C6

InChI

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