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

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-quinolinylthio)acetamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-quinolylthio)acetamide Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19N3OS2/c22-12-16-15-7-2-1-3-9-18(15)27-21(16)24-19(25)13-26-20-11-10-14-6-4-5-8-17(14)23-20/h4-6,8,10-11H,1-3,7,9,13H2,(H,24,25)