6-chloranyl-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]quinazolin-4-one Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)C

InChI

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