N-(1,3-benzodioxol-5-yl)-2-[3-[4-(furan-2-ylmethylamino)-4-oxidanylidene-butyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[4-(furan-2-ylmethylamino)-4-oxidanylidene-butyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-[4-(2-furylmethylamino)-4-oxo-butyl]-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[4-(2-furanylmethylamino)-4-oxobutyl]-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[4-(furan-2-ylmethylamino)-4-oxobutyl]-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[4-(2-furfurylamino)-4-keto-butyl]-4-keto-quinazolin-2-yl]thio]butyramide Formula: C28H28N4O6S MolecularWeight: 548.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CCCC(=O)NCC5=CC=CO5

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CCCC(=O)NCC5=CC=CO5

InChI

InChI=1S/C28H28N4O6S/c1-2-24(26(34)30-18-11-12-22-23(15-18)38-17-37-22)39-28-31-21-9-4-3-8-20(21)27(35)32(28)13-5-10-25(33)29-16-19-7-6-14-36-19/h3-4,6-9,11-12,14-15,24H,2,5,10,13,16-17H2,1H3,(H,29,33)(H,30,34)