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

Systemtic Name: 3-(furan-2-ylmethyl)-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-2-[[1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]thio]-4-quinazolinone IUPAC Name: 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]thio]-3-(2-furfuryl)quinazolin-4-one Formula: C27H28N4O3S MolecularWeight: 488.60122

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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)N3CC5=CC=CO5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C27H28N4O3S/c1-20(25(32)30-15-13-29(14-16-30)18-21-8-3-2-4-9-21)35-27-28-24-12-6-5-11-23(24)26(33)31(27)19-22-10-7-17-34-22/h2-12,17,20H,13-16,18-19H2,1H3