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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-(4-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(4-propoxyphenyl)cinchoninamide Formula: C32H33N3O2S MolecularWeight: 523.68832

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=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

CCCOC1=CC=C(C=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/C32H33N3O2S/c1-5-13-37-23-10-8-22(9-11-23)28-17-26(25-15-19(3)14-20(4)30(25)34-28)31(36)35-32-27(18-33)24-12-7-21(6-2)16-29(24)38-32/h8-11,14-15,17,21H,5-7,12-13,16H2,1-4H3,(H,35,36)