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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(phenylcarbonyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one CAS Name: 3-(1,3-benzothiazol-2-ylthio)-1-(4-benzoyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-1-(4-benzoylpiperazino)propan-1-one Formula: C21H21N3O2S2 MolecularWeight: 411.54034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCSC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCSC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S2/c25-19(10-15-27-21-22-17-8-4-5-9-18(17)28-21)23-11-13-24(14-12-23)20(26)16-6-2-1-3-7-16/h1-9H,10-15H2