3-(4-ethylphenyl)-2-[[4-(phenylmethyl)morpholin-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-ethylphenyl)-2-[[4-(phenylmethyl)morpholin-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one CAS Name: 3-(4-ethylphenyl)-2-[[4-(phenylmethyl)-2-morpholinyl]methylthio]-4-quinazolinone IUPAC Name: 2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one Traditional Name: 2-[(4-benzylmorpholin-2-yl)methylthio]-3-(4-ethylphenyl)quinazolin-4-one Formula: C28H29N3O2S MolecularWeight: 471.61376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CN(CCO4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CN(CCO4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2S/c1-2-21-12-14-23(15-13-21)31-27(32)25-10-6-7-11-26(25)29-28(31)34-20-24-19-30(16-17-33-24)18-22-8-4-3-5-9-22/h3-15,24H,2,16-20H2,1H3