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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(2-thienyl)cinchoninamide Formula: C25H21N3OS2 MolecularWeight: 443.58374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C

InChI

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