3-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-ylthio)-1-[4-(4-fluorophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-1-[4-(4-fluorophenyl)piperazino]propan-1-one Formula: C20H20FN3OS2 MolecularWeight: 401.520703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20FN3OS2/c21-15-5-7-16(8-6-15)23-10-12-24(13-11-23)19(25)9-14-26-20-22-17-3-1-2-4-18(17)27-20/h1-8H,9-14H2