(5-ethanoyl-2-ethoxy-phenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-[(1R)-1-phenylethyl]isothiourea Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC(C)C2=CC=CC=C2)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=N[C@H](C)C2=CC=CC=C2)N

InChI

InChI=1S/C20H24N2O2S/c1-4-24-19-11-10-17(15(3)23)12-18(19)13-25-20(21)22-14(2)16-8-6-5-7-9-16/h5-12,14H,4,13H2,1-3H3,(H2,21,22)/t14-/m1/s1