ethyl N'-[4-methoxy-3-(methylaminomethyl)phenyl]carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC(=C(C=C1)OC)CNC)N

Isomeric SMILES

CCSC(=NC1=CC(=C(C=C1)OC)CNC)N

InChI

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