3-(2-methylpropyl)-2-[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-methylpropyl)-2-[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-isobutyl-2-[(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-methylpropyl)-2-[[(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(2-methylpropyl)-2-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-isobutyl-2-[[(1R)-2-keto-1-methyl-2-piperidino-ethyl]thio]quinazolin-4-one Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C20H27N3O2S/c1-14(2)13-23-19(25)16-9-5-6-10-17(16)21-20(23)26-15(3)18(24)22-11-7-4-8-12-22/h5-6,9-10,14-15H,4,7-8,11-13H2,1-3H3/t15-/m1/s1