N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-phenyl-cinchoninamide Formula: C27H23N3OS MolecularWeight: 437.55602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C#N

InChI

InChI=1S/C27H23N3OS/c28-17-22-20-13-6-1-2-7-15-25(20)32-27(22)30-26(31)21-16-24(18-10-4-3-5-11-18)29-23-14-9-8-12-19(21)23/h3-5,8-12,14,16H,1-2,6-7,13,15H2,(H,30,31)