ethyl N'-[3-(2-azanylpropan-2-yl)-4-phenylmethoxy-phenyl]carbamimidothioate

Systemtic Name: ethyl N'-[3-(2-azanylpropan-2-yl)-4-phenylmethoxy-phenyl]carbamimidothioate Openeye Name: 3-[3-(1-amino-1-methyl-ethyl)-4-benzyloxy-phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(2-aminopropan-2-yl)-4-phenylmethoxyphenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(2-aminopropan-2-yl)-4-phenylmethoxyphenyl]carbamimidothioate Traditional Name: 3-[3-(1-amino-1-methyl-ethyl)-4-benzoxy-phenyl]-2-ethyl-isothiourea Formula: C19H25N3OS MolecularWeight: 343.4863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3OS/c1-4-24-18(20)22-15-10-11-17(16(12-15)19(2,3)21)23-13-14-8-6-5-7-9-14/h5-12H,4,13,21H2,1-3H3,(H2,20,22)