1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazino]-4-(phenylthio)butan-1-one Formula: C22H25N3O2S2 MolecularWeight: 427.5828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S2/c1-27-18-9-5-10-19-21(18)23-22(29-19)25-14-12-24(13-15-25)20(26)11-6-16-28-17-7-3-2-4-8-17/h2-5,7-10H,6,11-16H2,1H3