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

Systemtic Name: 8-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-2-phenyl-quinoline-4-carboxamide Openeye Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methyl-2-phenyl-quinoline-4-carboxamide CAS Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-2-phenylquinoline-4-carboxamide Traditional Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methyl-2-phenyl-cinchoninamide Formula: C26H20ClN3OS MolecularWeight: 457.9745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C(=C1C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C=CC=C2Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C2C(=C1C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C=CC=C2Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H20ClN3OS/c1-15-22(25(31)30-26-19(14-28)17-10-5-6-13-21(17)32-26)18-11-7-12-20(27)24(18)29-23(15)16-8-3-2-4-9-16/h2-4,7-9,11-12H,5-6,10,13H2,1H3,(H,30,31)