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

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-4-methylphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-2-[(2-keto-2-piperidino-ethyl)thio]quinazolin-4-one Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCC4)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-15-9-10-16(13-18(15)23)26-21(28)17-7-3-4-8-19(17)24-22(26)29-14-20(27)25-11-5-2-6-12-25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3