2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-thiophen-2-ylcyclopropyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-thiophen-2-ylcyclopropyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[2-(2-thienyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-[oxo-(2-thiophen-2-ylcyclopropyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-thiophen-2-ylcyclopropanecarbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-[2-(2-thienyl)cyclopropanecarbonyl]piperazino]ethanone Formula: C21H21N3O2S3 MolecularWeight: 443.60534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3S2)C(=O)C4CC4C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3S2)C(=O)C4CC4C5=CC=CS5

InChI

InChI=1S/C21H21N3O2S3/c25-19(13-28-21-22-16-4-1-2-5-18(16)29-21)23-7-9-24(10-8-23)20(26)15-12-14(15)17-6-3-11-27-17/h1-6,11,14-15H,7-10,12-13H2