N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-[6-(methylthio)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-[6-(methylthio)-3-propargyl-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pipecolinamide Formula: C21H21N3O3S4 MolecularWeight: 491.66974

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CC#C

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CC#C

InChI

InChI=1S/C21H21N3O3S4/c1-3-11-23-16-10-9-15(28-2)14-18(16)30-21(23)22-20(25)17-7-4-5-12-24(17)31(26,27)19-8-6-13-29-19/h1,6,8-10,13-14,17H,4-5,7,11-12H2,2H3