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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C

InChI

InChI=1S/C28H25N3OS/c1-16-13-17(2)25-21(14-16)24(18(3)26(30-25)19-9-5-4-6-10-19)27(32)31-28-22(15-29)20-11-7-8-12-23(20)33-28/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,31,32)