N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pipecolinamide Formula: C21H25N3O4S4 MolecularWeight: 511.7009

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)N2CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)N2CCSC

InChI

InChI=1S/C21H25N3O4S4/c1-28-15-8-9-18-17(14-15)23(11-13-29-2)21(31-18)22-20(25)16-6-3-4-10-24(16)32(26,27)19-7-5-12-30-19/h5,7-9,12,14,16H,3-4,6,10-11,13H2,1-2H3