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

Systemtic Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pipecolinamide Formula: C22H27N3O3S4 MolecularWeight: 509.72808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CCSC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CCSC

InChI

InChI=1S/C22H27N3O3S4/c1-3-16-9-10-17-19(15-16)31-22(24(17)12-14-29-2)23-21(26)18-7-4-5-11-25(18)32(27,28)20-8-6-13-30-20/h6,8-10,13,15,18H,3-5,7,11-12,14H2,1-2H3