2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N-phenyl-ethanethioamide iodide

Systemtic Name: 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N-phenyl-ethanethioamide iodide Openeye Name: 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N-phenyl-thioacetamide iodide CAS Name: 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N-phenylethanethioamide iodide IUPAC Name: 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N-phenylethanethioamide iodide Traditional Name: 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N-phenyl-thioacetamide iodide Formula: C17H17IN2S2 MolecularWeight: 440.36475

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)CC(=S)NC3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)CC(=S)NC3=CC=CC=C3.[I-]

InChI

InChI=1S/C17H16N2S2.HI/c1-2-19-14-10-6-7-11-15(14)21-17(19)12-16(20)18-13-8-4-3-5-9-13;/h3-11H,2,12H2,1H3;1H