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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,8-dimethyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-phenylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,8-dimethyl-2-phenyl-cinchoninamide Formula: C27H23N3OS MolecularWeight: 437.55602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=CC=C3)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=CC=C3)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C27H23N3OS/c1-16-9-8-13-20-23(17(2)25(29-24(16)20)18-10-4-3-5-11-18)26(31)30-27-21(15-28)19-12-6-7-14-22(19)32-27/h3-5,8-11,13H,6-7,12,14H2,1-2H3,(H,30,31)