N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,8-dimethyl-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,8-dimethyl-2-(p-tolyl)cinchoninamide Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=CC=C(C3=N2)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=CC=C(C3=N2)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C

InChI

InChI=1S/C28H25N3OS/c1-16-11-13-19(14-12-16)26-18(3)24(21-9-6-7-17(2)25(21)30-26)27(32)31-28-22(15-29)20-8-4-5-10-23(20)33-28/h6-7,9,11-14H,4-5,8,10H2,1-3H3,(H,31,32)