N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-ethanamide

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-ethanamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfonyl-acetamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]sulfonylacetamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-2-[2-keto-2-(2-methylpiperidino)ethyl]sulfonyl-acetamide Formula: C20H22BrN3O4S2 MolecularWeight: 512.44038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

Isomeric SMILES

CC1CCCCN1C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

InChI

InChI=1S/C20H22BrN3O4S2/c1-3-9-24-16-8-7-15(21)11-17(16)29-20(24)22-18(25)12-30(27,28)13-19(26)23-10-5-4-6-14(23)2/h1,7-8,11,14H,4-6,9-10,12-13H2,2H3