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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

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