N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(1,3-benzodioxol-5-ylamino)-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]thio]butyramide Formula: C26H22N4O5S MolecularWeight: 502.54168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H22N4O5S/c1-2-23(25(31)28-16-8-10-20-22(12-16)35-14-33-20)36-26-29-18-6-4-3-5-17(18)24(30-26)27-15-7-9-19-21(11-15)34-13-32-19/h3-12,23H,2,13-14H2,1H3,(H,28,31)(H,27,29,30)