7-[[4-[2-(thiophen-2-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[[4-[2-(thiophen-2-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[[4-[2-(2-thienylmethylsulfanyl)benzoyl]piperazin-1-yl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[4-[oxo-[2-(thiophen-2-ylmethylthio)phenyl]methyl]-1-piperazinyl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[[4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[4-[2-(2-thenylthio)benzoyl]piperazino]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C23H23N4O2S3+ MolecularWeight: 483.64932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)[N+]3=C(N2)SC=C3)C(=O)C4=CC=CC=C4SCC5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)[N+]3=C(N2)SC=C3)C(=O)C4=CC=CC=C4SCC5=CC=CS5

InChI

InChI=1S/C23H22N4O2S3/c28-21-14-17(24-23-27(21)11-13-31-23)15-25-7-9-26(10-8-25)22(29)19-5-1-2-6-20(19)32-16-18-4-3-12-30-18/h1-6,11-14H,7-10,15-16H2/p+1