N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pipecolinamide Formula: C22H27N3O5S4 MolecularWeight: 541.72688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CCSC)OC

InChI

InChI=1S/C22H27N3O5S4/c1-29-17-13-16-19(14-18(17)30-2)33-22(24(16)10-12-31-3)23-21(26)15-7-4-5-9-25(15)34(27,28)20-8-6-11-32-20/h6,8,11,13-15H,4-5,7,9-10,12H2,1-3H3