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

Systemtic Name: S-phenyl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carbothioate Openeye Name: S-phenyl 2-(4-benzyloxyphenyl)-3,6,8-trimethyl-quinoline-4-carbothioate CAS Name: 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carbothioate Traditional Name: 2-(4-benzoxyphenyl)-3,6,8-trimethyl-quinoline-4-carbothioic acid S-phenyl ester Formula: C32H27NO2S MolecularWeight: 489.62728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)SC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)SC5=CC=CC=C5)C

InChI

InChI=1S/C32H27NO2S/c1-21-18-22(2)30-28(19-21)29(32(34)36-27-12-8-5-9-13-27)23(3)31(33-30)25-14-16-26(17-15-25)35-20-24-10-6-4-7-11-24/h4-19H,20H2,1-3H3