7-chloranyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 7-chloro-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 7-chloro-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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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)OCCO4

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H19ClN2O4S/c1-2-7-24-20(26)15-5-4-14(22)11-16(15)23-21(24)29-12-17(25)13-3-6-18-19(10-13)28-9-8-27-18/h3-6,10-11H,2,7-9,12H2,1H3