6-[(4-bromophenyl)methylsulfanyl]-7-chloranyl-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazolin-4-one

Systemtic Name: 6-[(4-bromophenyl)methylsulfanyl]-7-chloranyl-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazolin-4-one Openeye Name: 6-[(4-bromophenyl)methylsulfanyl]-7-chloro-3-[3-(3-hydroxy-2-piperidyl)-2-oxo-propyl]quinazolin-4-one CAS Name: 6-[(4-bromophenyl)methylthio]-7-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-4-quinazolinone IUPAC Name: 6-[(4-bromophenyl)methylsulfanyl]-7-chloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one Traditional Name: 6-[(4-bromobenzyl)thio]-7-chloro-3-[3-(3-hydroxy-2-piperidyl)-2-keto-propyl]quinazolin-4-one Formula: C23H23BrClN3O3S MolecularWeight: 536.86902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)SCC4=CC=C(C=C4)Br)Cl)O

Isomeric SMILES

C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)SCC4=CC=C(C=C4)Br)Cl)O

InChI

InChI=1S/C23H23BrClN3O3S/c24-15-5-3-14(4-6-15)12-32-22-9-17-19(10-18(22)25)27-13-28(23(17)31)11-16(29)8-20-21(30)2-1-7-26-20/h3-6,9-10,13,20-21,26,30H,1-2,7-8,11-12H2