(5-ethanoyl-2-methoxy-phenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-(3,4-dimethylphenyl)isothiourea CAS Name: N'-(3,4-dimethylphenyl)carbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-(3,4-dimethylphenyl)isothiourea Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C(N)SCC2=C(C=CC(=C2)C(=O)C)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N=C(N)SCC2=C(C=CC(=C2)C(=O)C)OC)C

InChI

InChI=1S/C19H22N2O2S/c1-12-5-7-17(9-13(12)2)21-19(20)24-11-16-10-15(14(3)22)6-8-18(16)23-4/h5-10H,11H2,1-4H3,(H2,20,21)