(5-ethanoyl-2-ethoxy-phenyl)methyl N'-tert-butylcarbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-tert-butyl-isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-tert-butyl-isothiourea Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC(C)(C)C)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC(C)(C)C)N

InChI

InChI=1S/C16H24N2O2S/c1-6-20-14-8-7-12(11(2)19)9-13(14)10-21-15(17)18-16(3,4)5/h7-9H,6,10H2,1-5H3,(H2,17,18)