(2,5-dimethylphenyl)-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2,5-dimethylphenyl)-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2,5-dimethylphenyl)-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (2,5-dimethylphenyl)-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]methanone IUPAC Name: (2,5-dimethylphenyl)-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2,5-dimethylphenyl)-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]piperazino]methanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C21H23N3OS2/c1-14-7-8-15(2)16(13-14)20(25)23-9-11-24(12-10-23)21-22-19-17(26-3)5-4-6-18(19)27-21/h4-8,13H,9-12H2,1-3H3