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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C

InChI

InChI=1S/C22H21N3OS2/c1-13-7-8-18-15(9-13)10-14(2)21(24-18)27-12-20(26)25-22-17(11-23)16-5-3-4-6-19(16)28-22/h7-10H,3-6,12H2,1-2H3,(H,25,26)