2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 2-[[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl]thio]-3-isobutyl-quinazolin-4-one Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)C

InChI

InChI=1S/C21H29N3O2S/c1-14(2)12-23-20(26)17-10-5-6-11-18(17)22-21(23)27-13-19(25)24-15(3)8-7-9-16(24)4/h5-6,10-11,14-16H,7-9,12-13H2,1-4H3/t15-,16-/m0/s1