3-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(2-chlorophenyl)methyl]-2-[(1S)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(2-chlorophenyl)methyl]-2-[[(2S)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-(2-chlorobenzyl)-2-[[(1S)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C24H26ClN3O2S MolecularWeight: 456.00014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl

InChI

InChI=1S/C24H26ClN3O2S/c1-16-11-13-27(14-12-16)22(29)17(2)31-24-26-21-10-6-4-8-19(21)23(30)28(24)15-18-7-3-5-9-20(18)25/h3-10,16-17H,11-15H2,1-2H3/t17-/m0/s1