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

Systemtic Name: 7-chloranyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 7-chloro-2-[2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 7-chloro-2-[[1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-3-propyl-4-quinazolinone IUPAC Name: 7-chloro-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 7-chloro-2-[[2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)N3CCCCC3CC

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)N3CCCCC3CC

InChI

InChI=1S/C21H28ClN3O2S/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/h9-10,13-14,16H,4-8,11-12H2,1-3H3