2-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-chloranyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-chloranyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-chloro-3-isobutyl-quinazolin-4-one CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-6-chloro-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-chloro-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-6-chloro-3-isobutyl-quinazolin-4-one Formula: C20H18ClN3OS2 MolecularWeight: 415.95942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18ClN3OS2/c1-12(2)10-24-19(25)14-9-13(21)7-8-15(14)23-20(24)26-11-18-22-16-5-3-4-6-17(16)27-18/h3-9,12H,10-11H2,1-2H3