N-(furan-2-ylmethyl)-6-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)hexanamide

Systemtic Name: N-(furan-2-ylmethyl)-6-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)hexanamide Openeye Name: N-(2-furylmethyl)-6-(4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)hexanamide CAS Name: N-(2-furanylmethyl)-6-[4-oxo-2-(phenacylthio)-3-quinazolinyl]hexanamide IUPAC Name: N-(furan-2-ylmethyl)-6-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)hexanamide Traditional Name: N-(2-furfuryl)-6-[4-keto-2-(phenacylthio)quinazolin-3-yl]hexanamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C27H27N3O4S/c31-24(20-10-3-1-4-11-20)19-35-27-29-23-14-7-6-13-22(23)26(33)30(27)16-8-2-5-15-25(32)28-18-21-12-9-17-34-21/h1,3-4,6-7,9-14,17H,2,5,8,15-16,18-19H2,(H,28,32)