1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazino]-2-phenyl-ethanone Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c1-26-16-8-9-17(27-2)20-19(16)22-21(28-20)24-12-10-23(11-13-24)18(25)14-15-6-4-3-5-7-15/h3-9H,10-14H2,1-2H3