3-methyl-2-[2-[4-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethyl]piperazin-1-yl]ethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-methyl-2-[2-[4-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethyl]piperazin-1-yl]ethylsulfanyl]quinazolin-4-one Openeye Name: 3-methyl-2-[2-[4-[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylethyl]piperazin-1-yl]ethylsulfanyl]quinazolin-4-one CAS Name: 3-methyl-2-[2-[4-[2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]-1-piperazinyl]ethylthio]-4-quinazolinone IUPAC Name: 3-methyl-2-[2-[4-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl]piperazin-1-yl]ethylsulfanyl]quinazolin-4-one Traditional Name: 2-[2-[4-[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]ethyl]piperazino]ethylthio]-3-methyl-quinazolin-4-one Formula: C31H32N6O2S2 MolecularWeight: 584.75478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCCN3CCN(CC3)CCSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCCN3CCN(CC3)CCSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

InChI

InChI=1S/C31H32N6O2S2/c1-34-28(38)24-11-5-7-13-26(24)32-30(34)40-21-19-35-15-17-36(18-16-35)20-22-41-31-33-27-14-8-6-12-25(27)29(39)37(31)23-9-3-2-4-10-23/h2-14H,15-22H2,1H3