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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCCCC3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)N3CCCCC3

InChI

InChI=1S/C20H27N3O2S/c1-4-14(2)23-19(25)16-10-6-7-11-17(16)21-20(23)26-15(3)18(24)22-12-8-5-9-13-22/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3/t14-,15+/m0/s1