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

Systemtic Name: ethyl N'-[3-(aminomethyl)-4-(dimethylamino)phenyl]carbamimidothioate Openeye Name: 3-[3-(aminomethyl)-4-(dimethylamino)phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(aminomethyl)-4-(dimethylamino)phenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(aminomethyl)-4-(dimethylamino)phenyl]carbamimidothioate Traditional Name: 3-[3-(aminomethyl)-4-(dimethylamino)phenyl]-2-ethyl-isothiourea Formula: C12H20N4S MolecularWeight: 252.379

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC(=C(C=C1)N(C)C)CN)N

Isomeric SMILES

CCSC(=NC1=CC(=C(C=C1)N(C)C)CN)N

InChI

InChI=1S/C12H20N4S/c1-4-17-12(14)15-10-5-6-11(16(2)3)9(7-10)8-13/h5-7H,4,8,13H2,1-3H3,(H2,14,15)