3-(1,3-benzodioxol-5-ylmethyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-piperonyl-quinazolin-4-one Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O4S/c1-22(2,3)19(25)12-29-21-23-16-7-5-4-6-15(16)20(26)24(21)11-14-8-9-17-18(10-14)28-13-27-17/h4-10H,11-13H2,1-3H3