2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]quinazolin-4-one Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C

InChI

InChI=1S/C24H27N3O2S/c1-17-12-18(2)14-26(13-17)22(28)16-30-24-25-21-11-7-6-10-20(21)23(29)27(24)15-19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3/t17-,18-/m1/s1