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

Systemtic Name: (2-butoxy-5-ethanoyl-phenyl)methyl carbamimidothioate Openeye Name: 2-[(5-acetyl-2-butoxy-phenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (5-acetyl-2-butoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-butoxyphenyl)methyl carbamimidothioate Traditional Name: 2-(5-acetyl-2-butoxy-benzyl)isothiourea Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)C)CSC(=N)N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)C)CSC(=N)N

InChI

InChI=1S/C14H20N2O2S/c1-3-4-7-18-13-6-5-11(10(2)17)8-12(13)9-19-14(15)16/h5-6,8H,3-4,7,9H2,1-2H3,(H3,15,16)