2-[(2-methylphenyl)methylsulfanyl]-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-(o-tolylmethylsulfanyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one CAS Name: 2-[(2-methylphenyl)methylthio]-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-(4-phenylpiperazino)propyl]-2-[(2-methylbenzyl)thio]quinazolin-4-one Formula: C29H30N4O2S MolecularWeight: 498.6391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2S/c1-22-9-5-6-10-23(22)21-36-29-30-26-14-8-7-13-25(26)28(35)33(29)16-15-27(34)32-19-17-31(18-20-32)24-11-3-2-4-12-24/h2-14H,15-21H2,1H3