5,7-dimethyl-2-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 5,7-dimethyl-2-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole Openeye Name: 5,7-dimethyl-2-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 5,7-dimethyl-2-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 5,7-dimethyl-2-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole Traditional Name: 5,7-dimethyl-2-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-1,3-benzothiazole Formula: C21H22N4S3 MolecularWeight: 426.62118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)SC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)SC)C

InChI

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