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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C20H18N4OS2/c1-12-22-16-8-4-2-7-14(16)19(23-12)26-11-18(25)24-20-15(10-21)13-6-3-5-9-17(13)27-20/h2,4,7-8H,3,5-6,9,11H2,1H3,(H,24,25)