(5-ethanoyl-2-ethoxy-phenyl)methyl N'-(4-chlorophenyl)carbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-(4-chlorophenyl)isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-(4-chlorophenyl)isothiourea Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC2=CC=C(C=C2)Cl)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C18H19ClN2O2S/c1-3-23-17-9-4-13(12(2)22)10-14(17)11-24-18(20)21-16-7-5-15(19)6-8-16/h4-10H,3,11H2,1-2H3,(H2,20,21)