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

Systemtic Name: 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-isoamyl-acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N4O2S/c1-15(2)11-12-24-20(27)14-29-22-25-19-6-4-3-5-18(19)21(28)26(22)17-9-7-16(13-23)8-10-17/h3-10,15H,11-12,14H2,1-2H3,(H,24,27)