methyl 3-[4-(4-acetamidophenyl)butyl]benzenecarboximidothioate hydroiodide

Systemtic Name: methyl 3-[4-(4-acetamidophenyl)butyl]benzenecarboximidothioate hydroiodide Openeye Name: methyl 3-[4-(4-acetamidophenyl)butyl]benzenecarboximidothioate hydroiodide CAS Name: 3-[4-(4-acetamidophenyl)butyl]benzenecarboximidothioic acid methyl ester hydroiodide IUPAC Name: methyl 3-[4-(4-acetamidophenyl)butyl]benzenecarboximidothioate hydroiodide Traditional Name: 3-[4-(4-acetamidophenyl)butyl]benzenecarboximidothioic acid methyl ester hydroiodide Formula: C20H25IN2OS MolecularWeight: 468.39477

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CCCCC2=CC=CC(=C2)C(=N)SC.I

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CCCCC2=CC=CC(=C2)C(=N)SC.I

InChI

InChI=1S/C20H24N2OS.HI/c1-15(23)22-19-12-10-16(11-13-19)6-3-4-7-17-8-5-9-18(14-17)20(21)24-2;/h5,8-14,21H,3-4,6-7H2,1-2H3,(H,22,23);1H