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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-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=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

InChI

InChI=1S/C30H29N3O2S/c1-3-15-35-21-12-10-20(11-13-21)27-17-24(22-7-5-6-8-26(22)32-27)29(34)33-30-25(18-31)23-14-9-19(4-2)16-28(23)36-30/h5-8,10-13,17,19H,3-4,9,14-16H2,1-2H3,(H,33,34)