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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(6-methoxy-2-methyl-4-quinolyl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-methoxy-2-methyl-4-quinolinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(6-methoxy-2-methyl-4-quinolyl)thio]acetamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H21N3O2S2/c1-13-9-20(16-10-14(27-2)7-8-18(16)24-13)28-12-21(26)25-22-17(11-23)15-5-3-4-6-19(15)29-22/h7-10H,3-6,12H2,1-2H3,(H,25,26)