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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS2/c1-13-11-20(24-18-9-5-3-7-15(13)18)27-14(2)21(26)25-22-17(12-23)16-8-4-6-10-19(16)28-22/h3,5,7,9,11,14H,4,6,8,10H2,1-2H3,(H,25,26)