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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetamide Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C20H18N4O2S2/c1-24-19(26)13-7-2-4-8-15(13)22-20(24)27-11-17(25)23-18-14(10-21)12-6-3-5-9-16(12)28-18/h2,4,7-8H,3,5-6,9,11H2,1H3,(H,23,25)