2-[3-(4-methylphenoxy)propylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one

Systemtic Name: 2-[3-(4-methylphenoxy)propylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Openeye Name: 2-[3-(4-methylphenoxy)propylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one CAS Name: 2-[3-(4-methylphenoxy)propylthio]-5,6,7,8-tetrahydro-1H-quinazolin-4-one IUPAC Name: 2-[3-(4-methylphenoxy)propylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Traditional Name: 2-[3-(4-methylphenoxy)propylthio]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Formula: C18H22N2O2S MolecularWeight: 330.44448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCSC2=NC(=O)C3=C(N2)CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OCCCSC2=NC(=O)C3=C(N2)CCCC3

InChI

InChI=1S/C18H22N2O2S/c1-13-7-9-14(10-8-13)22-11-4-12-23-18-19-16-6-3-2-5-15(16)17(21)20-18/h7-10H,2-6,11-12H2,1H3,(H,19,20,21)