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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-(4-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(4-propoxyphenyl)cinchoninamide Formula: C30H29N3O2S MolecularWeight: 495.63516

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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)CCCC5)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)CCCC5)C#N)C)C

InChI

InChI=1S/C30H29N3O2S/c1-4-13-35-21-11-9-20(10-12-21)26-16-24(23-15-18(2)14-19(3)28(23)32-26)29(34)33-30-25(17-31)22-7-5-6-8-27(22)36-30/h9-12,14-16H,4-8,13H2,1-3H3,(H,33,34)