3-(3-chloranyl-4-fluoranyl-phenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(2-keto-2-piperidino-ethyl)thio]quinazolin-4-one Formula: C21H19ClFN3O2S MolecularWeight: 431.910863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H19ClFN3O2S/c22-16-12-14(8-9-17(16)23)26-20(28)15-6-2-3-7-18(15)24-21(26)29-13-19(27)25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11,13H2