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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-7-chloro-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-7-chloro-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-7-chloro-3-(3-methoxypropyl)quinazolin-4-one Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19ClN2O5S/c1-27-8-2-7-24-20(26)15-5-4-14(22)10-16(15)23-21(24)30-11-17(25)13-3-6-18-19(9-13)29-12-28-18/h3-6,9-10H,2,7-8,11-12H2,1H3