7-chloranyl-2-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C

InChI

InChI=1S/C21H28ClN3O2S/c1-13(2)12-25-20(27)17-6-5-16(22)11-18(17)23-21(25)28-15(4)19(26)24-9-7-14(3)8-10-24/h5-6,11,13-15H,7-10,12H2,1-4H3/t15-/m0/s1