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

Systemtic Name: ethyl N'-[3-(aminomethyl)-4-phenethyloxy-phenyl]carbamimidothioate Openeye Name: 3-[3-(aminomethyl)-4-phenethyloxy-phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(aminomethyl)-4-phenethyloxyphenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(aminomethyl)-4-phenethyloxyphenyl]carbamimidothioate Traditional Name: 3-[3-(aminomethyl)-4-phenethyloxy-phenyl]-2-ethyl-isothiourea Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC(=C(C=C1)OCCC2=CC=CC=C2)CN)N

Isomeric SMILES

CCSC(=NC1=CC(=C(C=C1)OCCC2=CC=CC=C2)CN)N

InChI

InChI=1S/C18H23N3OS/c1-2-23-18(20)21-16-8-9-17(15(12-16)13-19)22-11-10-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13,19H2,1H3,(H2,20,21)