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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(5-methyl-2-thienyl)cinchoninamide Formula: C27H25N3OS2 MolecularWeight: 471.6369

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(S5)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(S5)C

InChI

InChI=1S/C27H25N3OS2/c1-4-17-7-8-18-21(14-28)27(33-25(18)12-17)30-26(31)20-13-23(24-10-6-16(3)32-24)29-22-9-5-15(2)11-19(20)22/h5-6,9-11,13,17H,4,7-8,12H2,1-3H3,(H,30,31)