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

Systemtic Name: ethyl N'-[3-(methylaminomethyl)phenyl]carbamimidothioate Openeye Name: 2-ethyl-3-[3-(methylaminomethyl)phenyl]isothiourea CAS Name: N'-[3-(methylaminomethyl)phenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(methylaminomethyl)phenyl]carbamimidothioate Traditional Name: 2-ethyl-3-[3-(methylaminomethyl)phenyl]isothiourea Formula: C11H17N3S MolecularWeight: 223.33778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3S/c1-3-15-11(12)14-10-6-4-5-9(7-10)8-13-2/h4-7,13H,3,8H2,1-2H3,(H2,12,14)