N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C18H19N3O3S4 MolecularWeight: 453.62176

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O3S4/c1-25-18-20-14-5-4-13(11-15(14)27-18)19-17(22)12-6-8-21(9-7-12)28(23,24)16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3,(H,19,22)