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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-7-chloranyl-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-7-chloro-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-7-chloro-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-7-chloro-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-7-chloro-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18ClN3O2S2/c22-13-7-8-15-17(10-13)24-21(25(20(15)26)11-14-4-3-9-27-14)28-12-19-23-16-5-1-2-6-18(16)29-19/h1-2,5-8,10,14H,3-4,9,11-12H2