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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-quinolylsulfanyl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-quinolinylthio)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-quinolin-2-ylsulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-quinolylthio)propionamide Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=NC4=CC=CC=C4C=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=NC4=CC=CC=C4C=C3)C#N

InChI

InChI=1S/C21H19N3OS2/c22-13-16-15-6-2-4-8-18(15)27-21(16)24-19(25)11-12-26-20-10-9-14-5-1-3-7-17(14)23-20/h1,3,5,7,9-10H,2,4,6,8,11-12H2,(H,24,25)