3-cyclohexyl-7-(4-methylpiperazin-1-yl)carbonyl-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 3-cyclohexyl-7-(4-methylpiperazin-1-yl)carbonyl-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-7-(4-methylpiperazine-1-carbonyl)-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 3-cyclohexyl-7-[(4-methyl-1-piperazinyl)-oxomethyl]-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-cyclohexyl-7-(4-methylpiperazine-1-carbonyl)-2-phenacylsulfanylquinazolin-4-one Traditional Name: 3-cyclohexyl-7-(4-methylpiperazine-1-carbonyl)-2-(phenacylthio)quinazolin-4-one Formula: C28H32N4O3S MolecularWeight: 504.64368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C28H32N4O3S/c1-30-14-16-31(17-15-30)26(34)21-12-13-23-24(18-21)29-28(32(27(23)35)22-10-6-3-7-11-22)36-19-25(33)20-8-4-2-5-9-20/h2,4-5,8-9,12-13,18,22H,3,6-7,10-11,14-17,19H2,1H3