2-methyl-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]piperazino]propan-1-one Formula: C16H21N3OS2 MolecularWeight: 335.48744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=NC3=C(S2)C=CC=C3SC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=NC3=C(S2)C=CC=C3SC

InChI

InChI=1S/C16H21N3OS2/c1-11(2)15(20)18-7-9-19(10-8-18)16-17-14-12(21-3)5-4-6-13(14)22-16/h4-6,11H,7-10H2,1-3H3