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

Systemtic Name: 6-chloranyl-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl]thio]quinazolin-4-one Formula: C20H24ClN3O2S MolecularWeight: 405.94146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)C

InChI

InChI=1S/C20H24ClN3O2S/c1-4-10-23-19(26)16-11-15(21)8-9-17(16)22-20(23)27-12-18(25)24-13(2)6-5-7-14(24)3/h4,8-9,11,13-14H,1,5-7,10,12H2,2-3H3/t13-,14-/m0/s1