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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C20H23N5OS2 MolecularWeight: 413.55952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H23N5OS2/c1-14-11-15(2)22-20(21-14)27-13-19(26)25-9-7-24(8-10-25)12-18-23-16-5-3-4-6-17(16)28-18/h3-6,11H,7-10,12-13H2,1-2H3