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

Systemtic Name: 6-ethyl-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole Openeye Name: 6-ethyl-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 6-ethyl-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 6-ethyl-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole Traditional Name: 6-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=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

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