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

Systemtic Name: 2-(3-butoxyphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-cinchoninamide Formula: C33H35N3O2S MolecularWeight: 537.7149

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N)C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N)C)C

InChI

InChI=1S/C33H35N3O2S/c1-5-7-13-38-24-10-8-9-23(17-24)29-18-27(26-15-20(3)14-21(4)31(26)35-29)32(37)36-33-28(19-34)25-12-11-22(6-2)16-30(25)39-33/h8-10,14-15,17-18,22H,5-7,11-13,16H2,1-4H3,(H,36,37)