4-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)-N-(phenylmethyl)butanamide

Systemtic Name: 4-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)butanamide CAS Name: 4-[4-oxo-2-(phenacylthio)-3-quinazolinyl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)butanamide Traditional Name: N-benzyl-4-[4-keto-2-(phenacylthio)quinazolin-3-yl]butyramide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3S/c31-24(21-12-5-2-6-13-21)19-34-27-29-23-15-8-7-14-22(23)26(33)30(27)17-9-16-25(32)28-18-20-10-3-1-4-11-20/h1-8,10-15H,9,16-19H2,(H,28,32)