(5-ethanoyl-2-ethoxy-phenyl)methyl N'-cyclopentylcarbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-cyclopentylcarbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-cyclopentyl-isothiourea CAS Name: N'-cyclopentylcarbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-cyclopentylcarbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-cyclopentyl-isothiourea Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC2CCCC2)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC2CCCC2)N

InChI

InChI=1S/C17H24N2O2S/c1-3-21-16-9-8-13(12(2)20)10-14(16)11-22-17(18)19-15-6-4-5-7-15/h8-10,15H,3-7,11H2,1-2H3,(H2,18,19)