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

Systemtic Name: 2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl]thio]quinazolin-4-one Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-4-12-22-19(25)16-10-5-6-11-17(16)21-20(22)26-13-18(24)23-14(2)8-7-9-15(23)3/h4-6,10-11,14-15H,1,7-9,12-13H2,2-3H3/t14-,15-/m0/s1