N-[6-fluoranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[6-fluoranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[6-fluoro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[6-fluoro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)isonipecotamide Formula: C20H22FN3O3S4 MolecularWeight: 499.665383

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H22FN3O3S4/c1-28-12-10-24-16-5-4-15(21)13-17(16)30-20(24)22-19(25)14-6-8-23(9-7-14)31(26,27)18-3-2-11-29-18/h2-5,11,13-14H,6-10,12H2,1H3