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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(2-pyridyl)cinchoninamide Formula: C27H24N4OS MolecularWeight: 452.57066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CC=CC=N5

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CC=CC=N5

InChI

InChI=1S/C27H24N4OS/c1-15-7-8-18-21(14-28)27(33-24(18)12-15)31-26(32)20-13-23(22-6-4-5-9-29-22)30-25-17(3)10-16(2)11-19(20)25/h4-6,9-11,13,15H,7-8,12H2,1-3H3,(H,31,32)