7-chloranyl-3-(3-methoxypropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methoxypropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(3-methoxypropyl)-2-[(2-phenylthiazol-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-methoxypropyl)-2-[(2-phenyl-4-thiazolyl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methoxypropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(3-methoxypropyl)-2-[(2-phenylthiazol-4-yl)methylthio]quinazolin-4-one Formula: C22H20ClN3O2S2 MolecularWeight: 457.9961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O2S2/c1-28-11-5-10-26-21(27)18-9-8-16(23)12-19(18)25-22(26)30-14-17-13-29-20(24-17)15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,10-11,14H2,1H3