methyl N'-[(E)-(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]carbamimidothioate hydroiodide

Systemtic Name: methyl N'-[(E)-(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]carbamimidothioate hydroiodide Openeye Name: 3-[(E)-(4-benzyloxy-3-ethoxy-phenyl)methyleneamino]-2-methyl-isothiourea hydroiodide CAS Name: N'-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]carbamimidothioate hydroiodide Traditional Name: 3-[(E)-(4-benzoxy-3-ethoxy-benzylidene)amino]-2-methyl-isothiourea hydroiodide Formula: C18H22IN3O2S MolecularWeight: 471.35565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NN=C(N)SC)OCC2=CC=CC=C2.I

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/N=C(\N)/SC)OCC2=CC=CC=C2.I

InChI

InChI=1S/C18H21N3O2S.HI/c1-3-22-17-11-15(12-20-21-18(19)24-2)9-10-16(17)23-13-14-7-5-4-6-8-14;/h4-12H,3,13H2,1-2H3,(H2,19,21);1H/b20-12+;