2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-butyl-quinazolin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-butyl-quinazolin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-3-butyl-quinazolin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-butyl-4-quinazolinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-3-butyl-quinazolin-4-one Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O4S/c1-2-3-10-23-20(25)15-6-4-5-7-16(15)22-21(23)28-12-17(24)14-8-9-18-19(11-14)27-13-26-18/h4-9,11H,2-3,10,12-13H2,1H3