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

Systemtic Name: 2-(3-cyano-8-methyl-quinolin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-[(3-cyano-8-methyl-2-quinolyl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[(3-cyano-8-methyl-2-quinolinyl)thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[(3-cyano-8-methyl-2-quinolyl)thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C22H18N4OS2 MolecularWeight: 418.53452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H18N4OS2/c1-13-5-4-6-14-9-15(10-23)21(26-20(13)14)28-12-19(27)25-22-17(11-24)16-7-2-3-8-18(16)29-22/h4-6,9H,2-3,7-8,12H2,1H3,(H,25,27)