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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-phenylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-phenyl-cinchoninamide Formula: C26H21N3OS MolecularWeight: 423.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3OS/c1-16-8-7-12-19-20(14-22(28-24(16)19)17-9-3-2-4-10-17)25(30)29-26-21(15-27)18-11-5-6-13-23(18)31-26/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,29,30)