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

Systemtic Name: 4,6-dimethyl-2-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole Openeye Name: 4,6-dimethyl-2-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 4,6-dimethyl-2-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 4,6-dimethyl-2-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]-4,6-dimethyl-1,3-benzothiazole Formula: C21H22N4O2S3 MolecularWeight: 458.61998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C4=NC5=C(S4)C=CC=C5S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C4=NC5=C(S4)C=CC=C5S(=O)(=O)C)C

InChI

InChI=1S/C21H22N4O2S3/c1-13-11-14(2)18-16(12-13)29-20(22-18)24-7-9-25(10-8-24)21-23-19-15(28-21)5-4-6-17(19)30(3,26)27/h4-6,11-12H,7-10H2,1-3H3