3-[[2-(2-benzamidoethyl)-1,3-thiazol-4-yl]carbonylamino]propyl-dimethyl-sulfanium iodide

Systemtic Name: 3-[[2-(2-benzamidoethyl)-1,3-thiazol-4-yl]carbonylamino]propyl-dimethyl-sulfanium iodide Openeye Name: 3-[[2-(2-benzamidoethyl)thiazole-4-carbonyl]amino]propyl-dimethyl-sulfonium iodide CAS Name: 3-[[[2-(2-benzamidoethyl)-4-thiazolyl]-oxomethyl]amino]propyl-dimethylsulfonium iodide IUPAC Name: 3-[[2-(2-benzamidoethyl)-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium iodide Traditional Name: 3-[[2-(2-benzamidoethyl)thiazole-4-carbonyl]amino]propyl-dimethyl-sulfonium iodide Formula: C18H24IN3O2S2 MolecularWeight: 505.43653

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CCCNC(=O)C1=CSC(=N1)CCNC(=O)C2=CC=CC=C2.[I-]

Isomeric SMILES

C[S+](C)CCCNC(=O)C1=CSC(=N1)CCNC(=O)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C18H23N3O2S2.HI/c1-25(2)12-6-10-19-18(23)15-13-24-16(21-15)9-11-20-17(22)14-7-4-3-5-8-14;/h3-5,7-8,13H,6,9-12H2,1-2H3,(H-,19,20,22,23);1H