2-(1,3-benzothiazol-2-ylmethylsulfanyl)-7-chloranyl-3-(3-methoxypropyl)quinazolin-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-7-chloranyl-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-7-chloro-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-7-chloro-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-7-chloro-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-7-chloro-3-(3-methoxypropyl)quinazolin-4-one Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18ClN3O2S2/c1-26-10-4-9-24-19(25)14-8-7-13(21)11-16(14)23-20(24)27-12-18-22-15-5-2-3-6-17(15)28-18/h2-3,5-8,11H,4,9-10,12H2,1H3