ethyl N'-[3-(aminomethyl)-4-ethoxy-phenyl]carbamimidothioate

Systemtic Name: ethyl N'-[3-(aminomethyl)-4-ethoxy-phenyl]carbamimidothioate Openeye Name: 3-[3-(aminomethyl)-4-ethoxy-phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(aminomethyl)-4-ethoxyphenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(aminomethyl)-4-ethoxyphenyl]carbamimidothioate Traditional Name: 3-[3-(aminomethyl)-4-ethoxy-phenyl]-2-ethyl-isothiourea Formula: C12H19N3OS MolecularWeight: 253.36376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N=C(N)SCC)CN

Isomeric SMILES

CCOC1=C(C=C(C=C1)N=C(N)SCC)CN

InChI

InChI=1S/C12H19N3OS/c1-3-16-11-6-5-10(7-9(11)8-13)15-12(14)17-4-2/h5-7H,3-4,8,13H2,1-2H3,(H2,14,15)