3-(3-phenylpropoxy)-2-(3-phenylpropylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3-phenylpropoxy)-2-(3-phenylpropylsulfanyl)quinazolin-4-one Openeye Name: 3-(3-phenylpropoxy)-2-(3-phenylpropylsulfanyl)quinazolin-4-one CAS Name: 3-(3-phenylpropoxy)-2-(3-phenylpropylthio)-4-quinazolinone IUPAC Name: 3-(3-phenylpropoxy)-2-(3-phenylpropylsulfanyl)quinazolin-4-one Traditional Name: 3-(3-phenylpropoxy)-2-(3-phenylpropylthio)quinazolin-4-one Formula: C26H26N2O2S MolecularWeight: 430.56184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCON2C(=O)C3=CC=CC=C3N=C2SCCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCON2C(=O)C3=CC=CC=C3N=C2SCCCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O2S/c29-25-23-17-7-8-18-24(23)27-26(31-20-10-16-22-13-5-2-6-14-22)28(25)30-19-9-15-21-11-3-1-4-12-21/h1-8,11-14,17-18H,9-10,15-16,19-20H2