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(5-ethanoyl-2-methoxy-phenyl)methyl N'-butylcarbamimidothioate

(5-ethanoyl-2-methoxy-phenyl)methyl N'-butylcarbamimidothioate

Systemtic Name:(5-ethanoyl-2-methoxy-phenyl)methyl N'-butylcarbamimidothioate
Openeye Name:2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-butyl-isothiourea
CAS Name:N'-butylcarbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester
IUPAC Name:(5-acetyl-2-methoxyphenyl)methyl N'-butylcarbamimidothioate
Traditional Name:2-(5-acetyl-2-methoxy-benzyl)-3-butyl-isothiourea
Formula: C15H22N2O2S
MolecularWeight: 294.41238
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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