N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C26H22N4O2S2 MolecularWeight: 486.60848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C#N

InChI

InChI=1S/C26H22N4O2S2/c27-14-20-18-10-5-7-13-22(18)34-24(20)29-23(31)16-33-26-28-21-12-6-4-11-19(21)25(32)30(26)15-17-8-2-1-3-9-17/h1-4,6,8-9,11-12H,5,7,10,13,15-16H2,(H,29,31)