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

Systemtic Name: 2-(4-butan-2-ylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(4-sec-butylphenyl)quinoline-4-carboxamide CAS Name: 2-(4-butan-2-ylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-(4-butan-2-ylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(4-sec-butylphenyl)cinchoninamide Formula: C33H35N3OS MolecularWeight: 521.7155

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CC=C(C=C5)C(C)CC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CC=C(C=C5)C(C)CC

InChI

InChI=1S/C33H35N3OS/c1-6-20(4)23-9-11-24(12-10-23)29-17-27(26-15-19(3)14-21(5)31(26)35-29)32(37)36-33-28(18-34)25-13-8-22(7-2)16-30(25)38-33/h9-12,14-15,17,20,22H,6-8,13,16H2,1-5H3,(H,36,37)