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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-isopentyl-isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-isoamyl-isothiourea Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2S/c1-11(2)7-8-18-16(17)21-10-14-9-13(12(3)19)5-6-15(14)20-4/h5-6,9,11H,7-8,10H2,1-4H3,(H2,17,18)