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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea CAS Name: N'-[[(2R)-2-oxolanyl]methyl]carbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NCC2CCCO2)N

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-11(19)12-5-6-15(20-2)13(8-12)10-22-16(17)18-9-14-4-3-7-21-14/h5-6,8,14H,3-4,7,9-10H2,1-2H3,(H2,17,18)/t14-/m1/s1