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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(6-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[3-(6-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[3-(6-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(6-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[4-keto-3-(6-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C25H21N5O2S2 MolecularWeight: 487.59654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C25H21N5O2S2/c1-15-7-6-12-21(27-15)30-24(32)17-9-2-4-10-19(17)28-25(30)33-14-22(31)29-23-18(13-26)16-8-3-5-11-20(16)34-23/h2,4,6-7,9-10,12H,3,5,8,11,14H2,1H3,(H,29,31)