(5-ethanoyl-2-ethoxy-phenyl)methyl N'-(2-methylpropyl)carbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-isobutyl-isothiourea CAS Name: N'-(2-methylpropyl)carbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-(2-methylpropyl)carbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-isobutyl-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(=NCC(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2S/c1-5-20-15-7-6-13(12(4)19)8-14(15)10-21-16(17)18-9-11(2)3/h6-8,11H,5,9-10H2,1-4H3,(H2,17,18)