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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-ethyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-ethyl-2-(5-ethyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-ethyl-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-ethyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-ethyl-2-(5-ethyl-2-thienyl)cinchoninamide Formula: C29H29N3OS2 MolecularWeight: 499.69006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)CC)C5=CC=C(S5)CC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)CC)C5=CC=C(S5)CC

InChI

InChI=1S/C29H29N3OS2/c1-4-17-8-11-24-21(13-17)22(15-25(31-24)26-12-9-19(6-3)34-26)28(33)32-29-23(16-30)20-10-7-18(5-2)14-27(20)35-29/h8-9,11-13,15,18H,4-7,10,14H2,1-3H3,(H,32,33)