7-chloranyl-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-7-chloro-quinazolin-4-one CAS Name: 7-chloro-2-[[1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-7-chloro-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]thio]-7-chloro-quinazolin-4-one Formula: C25H27ClN4O2S MolecularWeight: 483.02548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C

InChI

InChI=1S/C25H27ClN4O2S/c1-3-11-30-24(32)21-10-9-20(26)16-22(21)27-25(30)33-18(2)23(31)29-14-12-28(13-15-29)17-19-7-5-4-6-8-19/h3-10,16,18H,1,11-15,17H2,2H3