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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-ethyl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-ethyl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-ethyl-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-ethyl-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-ethyl-2-(2-thienyl)cinchoninamide Formula: C25H21N3OS2 MolecularWeight: 443.58374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CS5

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CS5

InChI

InChI=1S/C25H21N3OS2/c1-2-15-9-10-20-17(12-15)18(13-21(27-20)23-8-5-11-30-23)24(29)28-25-19(14-26)16-6-3-4-7-22(16)31-25/h5,8-13H,2-4,6-7H2,1H3,(H,28,29)