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

Systemtic Name: 2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one Openeye Name: 2-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one CAS Name: 2-[[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-3-methyl-4-benzo[g]quinazolinone IUPAC Name: 2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-methylbenzo[g]quinazolin-4-one Traditional Name: 2-[[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]-3-methyl-benzo[g]quinazolin-4-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C)C

InChI

InChI=1S/C22H25N3O2S/c1-14-8-15(2)12-25(11-14)20(26)13-28-22-23-19-10-17-7-5-4-6-16(17)9-18(19)21(27)24(22)3/h4-7,9-10,14-15H,8,11-13H2,1-3H3/t14-,15-/m1/s1