3-(3-methylbutyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-methylbutyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-isopentyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-methylbutyl)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-methylbutyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-isoamyl-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]quinazolin-4-one Formula: C25H30N4O2S MolecularWeight: 450.5963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-19(2)12-13-29-24(31)21-10-6-7-11-22(21)26-25(29)32-18-23(30)28-16-14-27(15-17-28)20-8-4-3-5-9-20/h3-11,19H,12-18H2,1-2H3