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

Systemtic Name: N-(4-methylphenyl)-2-[(8-oxidanylidene-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]butanamide Openeye Name: 2-[(8-oxo-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]-N-(p-tolyl)butanamide CAS Name: N-(4-methylphenyl)-2-[(8-oxo-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)thio]butanamide IUPAC Name: N-(4-methylphenyl)-2-[(8-oxo-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]butanamide Traditional Name: 2-[(8-keto-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)thio]-N-(p-tolyl)butyramide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C)SC2=NC3=CC4=C(C=C3C(=O)N2CCC5=CC=CC=C5)OCO4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C)SC2=NC3=CC4=C(C=C3C(=O)N2CCC5=CC=CC=C5)OCO4

InChI

InChI=1S/C28H27N3O4S/c1-3-25(26(32)29-20-11-9-18(2)10-12-20)36-28-30-22-16-24-23(34-17-35-24)15-21(22)27(33)31(28)14-13-19-7-5-4-6-8-19/h4-12,15-16,25H,3,13-14,17H2,1-2H3,(H,29,32)