methyl N'-[2,5-bis(chloranyl)phenyl]carbamimidothioate

Systemtic Name: methyl N'-[2,5-bis(chloranyl)phenyl]carbamimidothioate Openeye Name: 3-(2,5-dichlorophenyl)-2-methyl-isothiourea CAS Name: N'-(2,5-dichlorophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2,5-dichlorophenyl)carbamimidothioate Traditional Name: 3-(2,5-dichlorophenyl)-2-methyl-isothiourea Formula: C8H8Cl2N2S MolecularWeight: 235.13352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=C(C=CC(=C1)Cl)Cl)N

Isomeric SMILES

CSC(=NC1=C(C=CC(=C1)Cl)Cl)N

InChI

InChI=1S/C8H8Cl2N2S/c1-13-8(11)12-7-4-5(9)2-3-6(7)10/h2-4H,1H3,(H2,11,12)