N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4,8-dimethyl-2-quinolyl)thio]acetamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H21N3OS2/c1-13-6-5-8-15-14(2)10-20(25-21(13)15)27-12-19(26)24-22-17(11-23)16-7-3-4-9-18(16)28-22/h5-6,8,10H,3-4,7,9,12H2,1-2H3,(H,24,26)