N-(furan-2-ylmethyl)-4-oxidanylidene-2-phenacylsulfanyl-3-prop-2-enyl-quinazoline-7-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-4-oxidanylidene-2-phenacylsulfanyl-3-prop-2-enyl-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(2-furylmethyl)-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N-(2-furanylmethyl)-4-oxo-2-(phenacylthio)-3-prop-2-enyl-7-quinazolinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-4-oxo-2-phenacylsulfanyl-3-prop-2-enylquinazoline-7-carboxamide Traditional Name: 3-allyl-N-(2-furfuryl)-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4S/c1-2-12-28-24(31)20-11-10-18(23(30)26-15-19-9-6-13-32-19)14-21(20)27-25(28)33-16-22(29)17-7-4-3-5-8-17/h2-11,13-14H,1,12,15-16H2,(H,26,30)