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

Systemtic Name: ethyl N'-[3-(aminomethyl)-4-(4-phenylbutoxy)phenyl]carbamimidothioate Openeye Name: 3-[3-(aminomethyl)-4-(4-phenylbutoxy)phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(aminomethyl)-4-(4-phenylbutoxy)phenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(aminomethyl)-4-(4-phenylbutoxy)phenyl]carbamimidothioate Traditional Name: 3-[3-(aminomethyl)-4-(4-phenylbutoxy)phenyl]-2-ethyl-isothiourea Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC(=C(C=C1)OCCCCC2=CC=CC=C2)CN)N

Isomeric SMILES

CCSC(=NC1=CC(=C(C=C1)OCCCCC2=CC=CC=C2)CN)N

InChI

InChI=1S/C20H27N3OS/c1-2-25-20(22)23-18-11-12-19(17(14-18)15-21)24-13-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11-12,14H,2,6-7,10,13,15,21H2,1H3,(H2,22,23)