3-(7-methyloctyl)-2-[(2-phenyl-1,3-thiazol-5-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(7-methyloctyl)-2-[(2-phenyl-1,3-thiazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(7-methyloctyl)-2-[(2-phenylthiazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(7-methyloctyl)-2-[(2-phenyl-5-thiazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(7-methyloctyl)-2-[(2-phenyl-1,3-thiazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(7-methyloctyl)-2-[(2-phenylthiazol-5-yl)methylthio]quinazolin-4-one Formula: C27H31N3OS2 MolecularWeight: 477.68454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CN=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3OS2/c1-20(2)12-6-3-4-11-17-30-26(31)23-15-9-10-16-24(23)29-27(30)32-19-22-18-28-25(33-22)21-13-7-5-8-14-21/h5,7-10,13-16,18,20H,3-4,6,11-12,17,19H2,1-2H3