3-[(2S)-butan-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCC3C

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC[C@@H]3C

InChI

InChI=1S/C20H27N3O2S/c1-4-14(2)23-19(25)16-10-5-6-11-17(16)21-20(23)26-13-18(24)22-12-8-7-9-15(22)3/h5-6,10-11,14-15H,4,7-9,12-13H2,1-3H3/t14-,15-/m0/s1