methyl N'-[3-(1-azanylpropyl)phenyl]carbamimidothioate dihydrochloride

Systemtic Name: methyl N'-[3-(1-azanylpropyl)phenyl]carbamimidothioate dihydrochloride Openeye Name: 3-[3-(1-aminopropyl)phenyl]-2-methyl-isothiourea dihydrochloride CAS Name: N'-[3-(1-aminopropyl)phenyl]carbamimidothioic acid methyl ester dihydrochloride IUPAC Name: methyl N'-[3-(1-aminopropyl)phenyl]carbamimidothioate dihydrochloride Traditional Name: 3-[3-(1-aminopropyl)phenyl]-2-methyl-isothiourea dihydrochloride Formula: C11H19Cl2N3S MolecularWeight: 296.25966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)N=C(N)SC)N.Cl.Cl

Isomeric SMILES

CCC(C1=CC(=CC=C1)N=C(N)SC)N.Cl.Cl

InChI

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