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

Systemtic Name: N-(furan-2-ylmethyl)-4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: N-(2-furylmethyl)-4-oxo-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N-(2-furanylmethyl)-4-oxo-3-pentyl-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-4-oxo-3-pentyl-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-amyl-N-(2-furfuryl)-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c1-2-3-7-14-30-26(33)22-13-12-20(25(32)28-17-21-11-8-15-34-21)16-23(22)29-27(30)35-18-24(31)19-9-5-4-6-10-19/h4-6,8-13,15-16H,2-3,7,14,17-18H2,1H3,(H,28,32)