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

Systemtic Name: 2-[[7-(1,3-benzodioxol-5-ylmethyl)-8-oxidanylidene-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N-(3-chloranyl-4-methyl-phenyl)butanamide Openeye Name: 2-[[7-(1,3-benzodioxol-5-ylmethyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N-(3-chloro-4-methyl-phenyl)butanamide CAS Name: 2-[[7-(1,3-benzodioxol-5-ylmethyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]thio]-N-(3-chloro-4-methylphenyl)butanamide IUPAC Name: 2-[[7-(1,3-benzodioxol-5-ylmethyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)butanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(8-keto-7-piperonyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)thio]butyramide Formula: C28H24ClN3O6S MolecularWeight: 566.02466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24ClN3O6S/c1-3-25(26(33)30-17-6-4-15(2)19(29)9-17)39-28-31-20-11-24-23(37-14-38-24)10-18(20)27(34)32(28)12-16-5-7-21-22(8-16)36-13-35-21/h4-11,25H,3,12-14H2,1-2H3,(H,30,33)