N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-quinolinylthio)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-quinolylthio)acetamide Formula: C20H17N3OS2 MolecularWeight: 379.49848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C=C3)C#N

InChI

InChI=1S/C20H17N3OS2/c21-11-15-14-6-2-4-8-17(14)26-20(15)23-18(24)12-25-19-10-9-13-5-1-3-7-16(13)22-19/h1,3,5,7,9-10H,2,4,6,8,12H2,(H,23,24)