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

Systemtic Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]-4-(phenylthio)butan-1-one Formula: C23H27N3O2S2 MolecularWeight: 441.60938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S2/c1-2-28-19-10-6-11-20-22(19)24-23(30-20)26-15-13-25(14-16-26)21(27)12-7-17-29-18-8-4-3-5-9-18/h3-6,8-11H,2,7,12-17H2,1H3