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

Systemtic Name: ethyl N'-[3-(aminomethyl)-4-phenylmethoxy-phenyl]carbamimidothioate Openeye Name: 3-[3-(aminomethyl)-4-benzyloxy-phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(aminomethyl)-4-phenylmethoxyphenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(aminomethyl)-4-phenylmethoxyphenyl]carbamimidothioate Traditional Name: 3-[3-(aminomethyl)-4-benzoxy-phenyl]-2-ethyl-isothiourea Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC(=C(C=C1)OCC2=CC=CC=C2)CN)N

Isomeric SMILES

CCSC(=NC1=CC(=C(C=C1)OCC2=CC=CC=C2)CN)N

InChI

InChI=1S/C17H21N3OS/c1-2-22-17(19)20-15-8-9-16(14(10-15)11-18)21-12-13-6-4-3-5-7-13/h3-10H,2,11-12,18H2,1H3,(H2,19,20)