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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(2-phenyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(2-phenylquinazolin-4-yl)thio]acetamide Formula: C25H20N4OS2 MolecularWeight: 456.5825

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5)C#N

InChI

InChI=1S/C25H20N4OS2/c26-14-19-17-10-5-7-13-21(17)32-25(19)28-22(30)15-31-24-18-11-4-6-12-20(18)27-23(29-24)16-8-2-1-3-9-16/h1-4,6,8-9,11-12H,5,7,10,13,15H2,(H,28,30)