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

Systemtic Name: S-phenyl 3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carbothioate Openeye Name: S-phenyl 3,6,8-trimethyl-2-(p-tolyl)quinoline-4-carbothioate CAS Name: 3,6,8-trimethyl-2-(4-methylphenyl)-4-quinolinecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carbothioate Traditional Name: 3,6,8-trimethyl-2-(p-tolyl)quinoline-4-carbothioic acid S-phenyl ester Formula: C26H23NOS MolecularWeight: 397.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2C)C(=O)SC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2C)C(=O)SC4=CC=CC=C4)C)C

InChI

InChI=1S/C26H23NOS/c1-16-10-12-20(13-11-16)25-19(4)23(26(28)29-21-8-6-5-7-9-21)22-15-17(2)14-18(3)24(22)27-25/h5-15H,1-4H3