N-(3-cyanophenyl)-2-[3-(5-methylheptyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-[3-(5-methylheptyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-[3-(5-methylheptyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-[[3-(5-methylheptyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[3-(5-methylheptyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-cyanophenyl)-2-[[4-keto-3-(5-methylheptyl)quinazolin-2-yl]thio]acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCC(C)CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H28N4O2S/c1-3-18(2)9-6-7-14-29-24(31)21-12-4-5-13-22(21)28-25(29)32-17-23(30)27-20-11-8-10-19(15-20)16-26/h4-5,8,10-13,15,18H,3,6-7,9,14,17H2,1-2H3,(H,27,30)