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

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]acetamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]acetamide Formula: C21H24BrN3O2S2 MolecularWeight: 494.46816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

Isomeric SMILES

CCC1CCCCN1C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

InChI

InChI=1S/C21H24BrN3O2S2/c1-3-10-25-17-9-8-15(22)12-18(17)29-21(25)23-19(26)13-28-14-20(27)24-11-6-5-7-16(24)4-2/h1,8-9,12,16H,4-7,10-11,13-14H2,2H3