2-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfanyl]-3-phenethyl-quinazolin-4-one

Systemtic Name: 2-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfanyl]-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(2-cyclohexylthiazol-4-yl)methylsulfanyl]-3-phenethyl-quinazolin-4-one CAS Name: 2-[(2-cyclohexyl-4-thiazolyl)methylthio]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfanyl]-3-phenethylquinazolin-4-one Traditional Name: 2-[(2-cyclohexylthiazol-4-yl)methylthio]-3-phenethyl-quinazolin-4-one Formula: C26H27N3OS2 MolecularWeight: 461.64208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=CS2)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=NC(=CS2)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5

InChI

InChI=1S/C26H27N3OS2/c30-25-22-13-7-8-14-23(22)28-26(29(25)16-15-19-9-3-1-4-10-19)32-18-21-17-31-24(27-21)20-11-5-2-6-12-20/h1,3-4,7-10,13-14,17,20H,2,5-6,11-12,15-16,18H2