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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

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