N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-(2-thienylsulfonyl)pipecolinamide Formula: C18H19N3O3S4 MolecularWeight: 453.62176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O3S4/c1-25-18-20-13-8-7-12(11-15(13)27-18)19-17(22)14-5-2-3-9-21(14)28(23,24)16-6-4-10-26-16/h4,6-8,10-11,14H,2-3,5,9H2,1H3,(H,19,22)