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

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pipecolinamide Formula: C20H22N4O5S4 MolecularWeight: 526.67248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N4O5S4/c1-30-12-10-22-15-8-7-14(24(26)27)13-17(15)32-20(22)21-19(25)16-5-2-3-9-23(16)33(28,29)18-6-4-11-31-18/h4,6-8,11,13,16H,2-3,5,9-10,12H2,1H3