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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(4-methyl-2-quinolyl)thio]propionamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H21N3OS2/c1-14-12-21(24-18-8-4-2-6-15(14)18)27-11-10-20(26)25-22-17(13-23)16-7-3-5-9-19(16)28-22/h2,4,6,8,12H,3,5,7,9-11H2,1H3,(H,25,26)