2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-phenyl-quinazolin-4-one CAS Name: 2-[[1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]thio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-phenylquinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]thio]-3-phenyl-quinazolin-4-one Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c1-21(26(33)31-18-16-30(17-19-31)20-22-10-4-2-5-11-22)35-28-29-25-15-9-8-14-24(25)27(34)32(28)23-12-6-3-7-13-23/h2-15,21H,16-20H2,1H3