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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C4=NC5=C(S4)C=CC=C5S(=O)(=O)C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C4=NC5=C(S4)C=CC=C5S(=O)(=O)C

InChI

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