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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)cinchoninamide Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O3S/c1-16-8-10-19-22(15-29)28(35-26(19)12-16)31-27(32)20-14-24(30-23-7-5-4-6-18(20)23)21-13-17(33-2)9-11-25(21)34-3/h4-7,9,11,13-14,16H,8,10,12H2,1-3H3,(H,31,32)