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

Systemtic Name: ethyl N'-[3-(2-azanylpropan-2-yl)-4-methoxy-phenyl]carbamimidothioate Openeye Name: 3-[3-(1-amino-1-methyl-ethyl)-4-methoxy-phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(2-aminopropan-2-yl)-4-methoxyphenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(2-aminopropan-2-yl)-4-methoxyphenyl]carbamimidothioate Traditional Name: 3-[3-(1-amino-1-methyl-ethyl)-4-methoxy-phenyl]-2-ethyl-isothiourea Formula: C13H21N3OS MolecularWeight: 267.39034

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC(=C(C=C1)OC)C(C)(C)N)N

Isomeric SMILES

CCSC(=NC1=CC(=C(C=C1)OC)C(C)(C)N)N

InChI

InChI=1S/C13H21N3OS/c1-5-18-12(14)16-9-6-7-11(17-4)10(8-9)13(2,3)15/h6-8H,5,15H2,1-4H3,(H2,14,16)