6-(3-methylbutylsulfanyl)-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-8-one

Systemtic Name: 6-(3-methylbutylsulfanyl)-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-8-one Openeye Name: 6-isopentylsulfanyl-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-8-one CAS Name: 6-(3-methylbutylthio)-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-8-one IUPAC Name: 6-(3-methylbutylsulfanyl)-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-8-one Traditional Name: 6-(isoamylthio)-7-phenethyl-[1,3]dioxolo[4,5-g]quinazolin-8-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=CC3=C(C=C2C(=O)N1CCC4=CC=CC=C4)OCO3

Isomeric SMILES

CC(C)CCSC1=NC2=CC3=C(C=C2C(=O)N1CCC4=CC=CC=C4)OCO3

InChI

InChI=1S/C22H24N2O3S/c1-15(2)9-11-28-22-23-18-13-20-19(26-14-27-20)12-17(18)21(25)24(22)10-8-16-6-4-3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3