4-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]-N-(phenylmethyl)butanamide

Systemtic Name: 4-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]butanamide CAS Name: 4-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-benzyl-4-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]butyramide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C21H20N4O2S/c22-12-14-28-21-24-18-10-5-4-9-17(18)20(27)25(21)13-6-11-19(26)23-15-16-7-2-1-3-8-16/h1-5,7-10H,6,11,13-15H2,(H,23,26)