methyl N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidothioate iodide

Systemtic Name: methyl N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidothioate iodide Openeye Name: 1-(4-chlorophenyl)-3-(2-furylmethyl)-2-methyl-isothiourea iodide CAS Name: N-(4-chlorophenyl)-N'-(2-furanylmethyl)carbamimidothioic acid methyl ester iodide IUPAC Name: methyl N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidothioate iodide Traditional Name: 1-(4-chlorophenyl)-3-(2-furfuryl)-2-methyl-isothiourea iodide Formula: C13H13ClIN2OS- MolecularWeight: 407.67759

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=CO1)NC2=CC=C(C=C2)Cl.[I-]

Isomeric SMILES

CSC(=NCC1=CC=CO1)NC2=CC=C(C=C2)Cl.[I-]

InChI

InChI=1S/C13H13ClN2OS.HI/c1-18-13(15-9-12-3-2-8-17-12)16-11-6-4-10(14)5-7-11;/h2-8H,9H2,1H3,(H,15,16);1H/p-1