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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19N3OS2/c1-13(26-19-11-10-14-6-2-4-8-17(14)23-19)20(25)24-21-16(12-22)15-7-3-5-9-18(15)27-21/h2,4,6,8,10-11,13H,3,5,7,9H2,1H3,(H,24,25)