2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-bis(2-methylpropyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2S/c1-17(2)14-28(15-18(3)4)23(30)16-32-25-27-22-8-6-5-7-21(22)24(31)29(25)20-11-9-19(13-26)10-12-20/h5-12,17-18H,14-16H2,1-4H3