1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone

Systemtic Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Openeye Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone CAS Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-[4-(methylthio)phenyl]ethanone IUPAC Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Traditional Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazino]-2-[4-(methylthio)phenyl]ethanone Formula: C21H23N3O2S2 MolecularWeight: 413.55622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-26-17-4-3-5-18-20(17)22-21(28-18)24-12-10-23(11-13-24)19(25)14-15-6-8-16(27-2)9-7-15/h3-9H,10-14H2,1-2H3