(5-ethanoyl-2-propoxy-phenyl)methyl carbamimidothioate

Systemtic Name: (5-ethanoyl-2-propoxy-phenyl)methyl carbamimidothioate Openeye Name: 2-[(5-acetyl-2-propoxy-phenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (5-acetyl-2-propoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-propoxyphenyl)methyl carbamimidothioate Traditional Name: 2-(5-acetyl-2-propoxy-benzyl)isothiourea Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)C)CSC(=N)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C)CSC(=N)N

InChI

InChI=1S/C13H18N2O2S/c1-3-6-17-12-5-4-10(9(2)16)7-11(12)8-18-13(14)15/h4-5,7H,3,6,8H2,1-2H3,(H3,14,15)