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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-[(1R)-1-phenylethyl]isothiourea Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N)SCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C19H22N2O2S/c1-13(15-7-5-4-6-8-15)21-19(20)24-12-17-11-16(14(2)22)9-10-18(17)23-3/h4-11,13H,12H2,1-3H3,(H2,20,21)/t13-/m1/s1