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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(m-tolyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(m-tolyl)cinchoninamide Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)C

InChI

InChI=1S/C28H25N3OS/c1-3-18-11-12-21-23(16-29)28(33-26(21)14-18)31-27(32)22-15-25(19-8-6-7-17(2)13-19)30-24-10-5-4-9-20(22)24/h4-10,13,15,18H,3,11-12,14H2,1-2H3,(H,31,32)