1-[4-[(5-methyl-1,2-benzothiazol-3-yl)carbonyl]piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-[(5-methyl-1,2-benzothiazol-3-yl)carbonyl]piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-[(5-methyl-1,2-benzothiazol-3-yl)-oxomethyl]-1-piperazinyl]-2-[(4-methyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazino]-2-[(4-methylpyrimidin-2-yl)thio]ethanone Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SN=C2C(=O)N3CCN(CC3)C(=O)CSC4=NC=CC(=N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)SN=C2C(=O)N3CCN(CC3)C(=O)CSC4=NC=CC(=N4)C

InChI

InChI=1S/C20H21N5O2S2/c1-13-3-4-16-15(11-13)18(23-29-16)19(27)25-9-7-24(8-10-25)17(26)12-28-20-21-6-5-14(2)22-20/h3-6,11H,7-10,12H2,1-2H3