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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

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