4,5-dimethyl-2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 4,5-dimethyl-2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole Openeye Name: 4,5-dimethyl-2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 4,5-dimethyl-2-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 4,5-dimethyl-2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole Traditional Name: 4,5-dimethyl-2-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-1,3-benzothiazole Formula: C21H22N4S3 MolecularWeight: 426.62118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C4=NC5=C(S4)C=CC=C5SC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C4=NC5=C(S4)C=CC=C5SC)C

InChI

InChI=1S/C21H22N4S3/c1-13-7-8-17-18(14(13)2)22-20(28-17)24-9-11-25(12-10-24)21-23-19-15(26-3)5-4-6-16(19)27-21/h4-8H,9-12H2,1-3H3