ethyl N'-[3-(aminomethyl)-4-(2-naphthalen-1-ylethoxy)phenyl]carbamimidothioate

Systemtic Name: ethyl N'-[3-(aminomethyl)-4-(2-naphthalen-1-ylethoxy)phenyl]carbamimidothioate Openeye Name: 3-[3-(aminomethyl)-4-[2-(1-naphthyl)ethoxy]phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(aminomethyl)-4-[2-(1-naphthalenyl)ethoxy]phenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(aminomethyl)-4-(2-naphthalen-1-ylethoxy)phenyl]carbamimidothioate Traditional Name: 3-[3-(aminomethyl)-4-[2-(1-naphthyl)ethoxy]phenyl]-2-ethyl-isothiourea Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC(=C(C=C1)OCCC2=CC=CC3=CC=CC=C32)CN)N

Isomeric SMILES

CCSC(=NC1=CC(=C(C=C1)OCCC2=CC=CC3=CC=CC=C32)CN)N

InChI

InChI=1S/C22H25N3OS/c1-2-27-22(24)25-19-10-11-21(18(14-19)15-23)26-13-12-17-8-5-7-16-6-3-4-9-20(16)17/h3-11,14H,2,12-13,15,23H2,1H3,(H2,24,25)