1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H22N4OS2/c1-13-10-14(2)22-20(21-13)26-12-18(25)24-9-5-6-15(11-24)19-23-16-7-3-4-8-17(16)27-19/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3/t15-/m1/s1