N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(8-quinolylsulfanyl)acetamide CAS Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(8-quinolinylthio)acetamide IUPAC Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(8-quinolylthio)acetamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(S2)NC(=O)CSC3=CC=CC4=C3N=CC=C4)C#N

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(S2)NC(=O)CSC3=CC=CC4=C3N=CC=C4)C#N

InChI

InChI=1S/C22H21N3OS2/c23-13-17-16-9-3-1-2-4-10-18(16)28-22(17)25-20(26)14-27-19-11-5-7-15-8-6-12-24-21(15)19/h5-8,11-12H,1-4,9-10,14H2,(H,25,26)