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

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

CC1=CC2=C(C=C1C)SC(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)N2CCSC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)N2CCSC

InChI

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