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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C)C

InChI

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