methyl N'-[(3-chloranyl-4-methoxy-phenyl)methyl]-N-(2-cyano-4,5-dimethoxy-phenyl)carbamimidothioate

Systemtic Name: methyl N'-[(3-chloranyl-4-methoxy-phenyl)methyl]-N-(2-cyano-4,5-dimethoxy-phenyl)carbamimidothioate Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)methyl]-1-(2-cyano-4,5-dimethoxy-phenyl)-2-methyl-isothiourea CAS Name: N'-[(3-chloro-4-methoxyphenyl)methyl]-N-(2-cyano-4,5-dimethoxyphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(3-chloro-4-methoxyphenyl)methyl]-N-(2-cyano-4,5-dimethoxyphenyl)carbamimidothioate Traditional Name: 3-(3-chloro-4-methoxy-benzyl)-1-(2-cyano-4,5-dimethoxy-phenyl)-2-methyl-isothiourea Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN=C(NC2=CC(=C(C=C2C#N)OC)OC)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN=C(NC2=CC(=C(C=C2C#N)OC)OC)SC)Cl

InChI

InChI=1S/C19H20ClN3O3S/c1-24-16-6-5-12(7-14(16)20)11-22-19(27-4)23-15-9-18(26-3)17(25-2)8-13(15)10-21/h5-9H,11H2,1-4H3,(H,22,23)