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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-8-methyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethylphenyl)-8-methyl-cinchoninamide Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C28H25N3OS/c1-3-18-11-13-19(14-12-18)24-15-22(21-9-6-7-17(2)26(21)30-24)27(32)31-28-23(16-29)20-8-4-5-10-25(20)33-28/h6-7,9,11-15H,3-5,8,10H2,1-2H3,(H,31,32)