S-(4-methylphenyl) 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carbothioate

Systemtic Name: S-(4-methylphenyl) 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carbothioate Openeye Name: S-(p-tolyl) 2-(4-benzyloxyphenyl)-3,6,8-trimethyl-quinoline-4-carbothioate CAS Name: 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carbothioate Traditional Name: 2-(4-benzoxyphenyl)-3,6,8-trimethyl-quinoline-4-carbothioic acid S-(p-tolyl) ester Formula: C33H29NO2S MolecularWeight: 503.65386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=C(C(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=C(C(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C33H29NO2S/c1-21-10-16-28(17-11-21)37-33(35)30-24(4)32(34-31-23(3)18-22(2)19-29(30)31)26-12-14-27(15-13-26)36-20-25-8-6-5-7-9-25/h5-19H,20H2,1-4H3