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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

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