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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C

InChI

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