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

Systemtic Name: ethyl N'-[3-(aminomethyl)-4-pyrrol-1-yl-phenyl]carbamimidothioate Openeye Name: 3-[3-(aminomethyl)-4-pyrrol-1-yl-phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(aminomethyl)-4-(1-pyrrolyl)phenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(aminomethyl)-4-pyrrol-1-ylphenyl]carbamimidothioate Traditional Name: 3-[3-(aminomethyl)-4-pyrrol-1-yl-phenyl]-2-ethyl-isothiourea Formula: C14H18N4S MolecularWeight: 274.38452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4S/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)