(5-ethanoyl-2-ethoxy-phenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea CAS Name: N'-[[(2R)-2-oxolanyl]methyl]carbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NCC2CCCO2)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC[C@H]2CCCO2)N

InChI

InChI=1S/C17H24N2O3S/c1-3-21-16-7-6-13(12(2)20)9-14(16)11-23-17(18)19-10-15-5-4-8-22-15/h6-7,9,15H,3-5,8,10-11H2,1-2H3,(H2,18,19)/t15-/m1/s1