ethyl N'-[3-(aminomethyl)-4-pyrrol-1-yl-phenyl]carbamimidothioate dihydrochloride

Systemtic Name: ethyl N'-[3-(aminomethyl)-4-pyrrol-1-yl-phenyl]carbamimidothioate dihydrochloride Openeye Name: 3-[3-(aminomethyl)-4-pyrrol-1-yl-phenyl]-2-ethyl-isothiourea dihydrochloride CAS Name: N'-[3-(aminomethyl)-4-(1-pyrrolyl)phenyl]carbamimidothioic acid ethyl ester dihydrochloride IUPAC Name: ethyl N'-[3-(aminomethyl)-4-pyrrol-1-ylphenyl]carbamimidothioate dihydrochloride Traditional Name: 3-[3-(aminomethyl)-4-pyrrol-1-yl-phenyl]-2-ethyl-isothiourea dihydrochloride Formula: C14H20Cl2N4S MolecularWeight: 347.3064

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC(=C(C=C1)N2C=CC=C2)CN)N.Cl.Cl

Isomeric SMILES

CCSC(=NC1=CC(=C(C=C1)N2C=CC=C2)CN)N.Cl.Cl

InChI

InChI=1S/C14H18N4S.2ClH/c1-2-19-14(16)17-12-5-6-13(11(9-12)10-15)18-7-3-4-8-18;;/h3-9H,2,10,15H2,1H3,(H2,16,17);2*1H