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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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