(5-ethanoyl-2-ethoxy-phenyl)methyl N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-isopentyl-isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-isoamyl-isothiourea Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NCCC(C)C)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NCCC(C)C)N

InChI

InChI=1S/C17H26N2O2S/c1-5-21-16-7-6-14(13(4)20)10-15(16)11-22-17(18)19-9-8-12(2)3/h6-7,10,12H,5,8-9,11H2,1-4H3,(H2,18,19)