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

Systemtic Name: 7-chloranyl-2-[1-(3-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[1-methyl-2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[1-(3-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[2-keto-1-methyl-2-(3-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC1CCCN(C1)C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C20H24ClN3O2S/c1-4-9-24-19(26)16-8-7-15(21)11-17(16)22-20(24)27-14(3)18(25)23-10-5-6-13(2)12-23/h4,7-8,11,13-14H,1,5-6,9-10,12H2,2-3H3