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

Systemtic Name: 5-methoxy-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole Openeye Name: 5-methoxy-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 5-methoxy-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 5-methoxy-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]-5-methoxy-1,3-benzothiazole Formula: C20H20N4O3S3 MolecularWeight: 460.5928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C20H20N4O3S3/c1-27-13-3-6-17-16(11-13)22-20(28-17)24-9-7-23(8-10-24)19-21-15-5-4-14(30(2,25)26)12-18(15)29-19/h3-6,11-12H,7-10H2,1-2H3