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

Systemtic Name: 2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-phenyl-quinazolin-4-one CAS Name: 2-[[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one Traditional Name: 2-[[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl]thio]-3-phenyl-quinazolin-4-one Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C

InChI

InChI=1S/C23H25N3O2S/c1-16-9-8-10-17(2)25(16)21(27)15-29-23-24-20-14-7-6-13-19(20)22(28)26(23)18-11-4-3-5-12-18/h3-7,11-14,16-17H,8-10,15H2,1-2H3/t16-,17-/m0/s1