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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-(4-chlorophenyl)isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-(4-chlorophenyl)isothiourea Formula: C17H17ClN2O2S MolecularWeight: 348.84708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O2S/c1-11(21)12-3-8-16(22-2)13(9-12)10-23-17(19)20-15-6-4-14(18)5-7-15/h3-9H,10H2,1-2H3,(H2,19,20)