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

Systemtic Name: ethyl N'-[3-(aminomethyl)-4-piperidin-1-yl-phenyl]carbamimidothioate Openeye Name: 3-[3-(aminomethyl)-4-(1-piperidyl)phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(aminomethyl)-4-(1-piperidinyl)phenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(aminomethyl)-4-piperidin-1-ylphenyl]carbamimidothioate Traditional Name: 3-[3-(aminomethyl)-4-piperidino-phenyl]-2-ethyl-isothiourea Formula: C15H24N4S MolecularWeight: 292.44286

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC(=C(C=C1)N2CCCCC2)CN)N

Isomeric SMILES

CCSC(=NC1=CC(=C(C=C1)N2CCCCC2)CN)N

InChI

InChI=1S/C15H24N4S/c1-2-20-15(17)18-13-6-7-14(12(10-13)11-16)19-8-4-3-5-9-19/h6-7,10H,2-5,8-9,11,16H2,1H3,(H2,17,18)