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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-[(1S)-1-methylpropyl]isothiourea Formula: C16H24N2O2S MolecularWeight: 308.43896

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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2S/c1-5-11(3)18-16(17)21-10-14-9-13(12(4)19)7-8-15(14)20-6-2/h7-9,11H,5-6,10H2,1-4H3,(H2,17,18)/t11-/m0/s1