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

Systemtic Name: 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]-4-mesyl-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=CC=C5S(=O)(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C4=NC5=C(S4)C=CC=C5S(=O)(=O)C

InChI

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