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

Systemtic Name: 7-chloranyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H26ClN3O2S/c1-4-11-25-20(27)17-10-9-15(22)13-18(17)23-21(25)28-14(3)19(26)24-12-7-6-8-16(24)5-2/h4,9-10,13-14,16H,1,5-8,11-12H2,2-3H3