2-[[7-(1,3-benzodioxol-5-ylmethyl)-8-oxidanylidene-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N-(3-methoxyphenyl)butanamide

Systemtic Name: 2-[[7-(1,3-benzodioxol-5-ylmethyl)-8-oxidanylidene-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N-(3-methoxyphenyl)butanamide Openeye Name: 2-[[7-(1,3-benzodioxol-5-ylmethyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N-(3-methoxyphenyl)butanamide CAS Name: 2-[[7-(1,3-benzodioxol-5-ylmethyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]thio]-N-(3-methoxyphenyl)butanamide IUPAC Name: 2-[[7-(1,3-benzodioxol-5-ylmethyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N-(3-methoxyphenyl)butanamide Traditional Name: 2-[(8-keto-7-piperonyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)thio]-N-(3-methoxyphenyl)butyramide Formula: C28H25N3O7S MolecularWeight: 547.579

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=CC4=C(C=C3C(=O)N2CC5=CC6=C(C=C5)OCO6)OCO4

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=CC4=C(C=C3C(=O)N2CC5=CC6=C(C=C5)OCO6)OCO4

InChI

InChI=1S/C28H25N3O7S/c1-3-25(26(32)29-17-5-4-6-18(10-17)34-2)39-28-30-20-12-24-23(37-15-38-24)11-19(20)27(33)31(28)13-16-7-8-21-22(9-16)36-14-35-21/h4-12,25H,3,13-15H2,1-2H3,(H,29,32)