1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethylsulfanyl)butan-1-one

Systemtic Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethylsulfanyl)butan-1-one Openeye Name: 4-benzylsulfanyl-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethylthio)-1-butanone IUPAC Name: 4-benzylsulfanyl-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(benzylthio)-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C24H29N3O3S2 MolecularWeight: 471.63536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3S2/c1-29-19-10-11-20(30-2)23-22(19)25-24(32-23)27-14-12-26(13-15-27)21(28)9-6-16-31-17-18-7-4-3-5-8-18/h3-5,7-8,10-11H,6,9,12-17H2,1-2H3