2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C23H26N2O3S MolecularWeight: 410.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C

InChI

InChI=1S/C23H26N2O3S/c1-14-12-15(2)21(17(4)27)16(3)19(14)13-29-23-24-20-9-6-5-8-18(20)22(28)25(23)10-7-11-26/h5-6,8-9,12,26H,7,10-11,13H2,1-4H3