(5-ethanoyl-2-methoxy-phenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-[(1S)-1-methylpropyl]isothiourea Formula: C15H22N2O2S MolecularWeight: 294.41238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(N)SCC1=C(C=CC(=C1)C(=O)C)OC

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=C(C=CC(=C1)C(=O)C)OC

InChI

InChI=1S/C15H22N2O2S/c1-5-10(2)17-15(16)20-9-13-8-12(11(3)18)6-7-14(13)19-4/h6-8,10H,5,9H2,1-4H3,(H2,16,17)/t10-/m0/s1