2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-propyl-quinazolin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-7-chloro-3-propyl-4-quinazolinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-7-chloro-3-propylquinazolin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-7-chloro-3-propyl-quinazolin-4-one Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17ClN2O4S/c1-2-7-23-19(25)14-5-4-13(21)9-15(14)22-20(23)28-10-16(24)12-3-6-17-18(8-12)27-11-26-17/h3-6,8-9H,2,7,10-11H2,1H3