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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-8-methyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-8-methyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-8-methylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-8-methyl-cinchoninamide Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=C(C=CC(=C5)OC)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=C(C=CC(=C5)OC)OC

InChI

InChI=1S/C28H25N3O3S/c1-16-7-6-9-19-20(27(32)31-28-22(15-29)18-8-4-5-10-25(18)35-28)14-23(30-26(16)19)21-13-17(33-2)11-12-24(21)34-3/h6-7,9,11-14H,4-5,8,10H2,1-3H3,(H,31,32)