methyl N-(4-chlorophenyl)-N'-(2-ethylphenyl)carbamimidothioate

Systemtic Name: methyl N-(4-chlorophenyl)-N'-(2-ethylphenyl)carbamimidothioate Openeye Name: 1-(4-chlorophenyl)-3-(2-ethylphenyl)-2-methyl-isothiourea CAS Name: N-(4-chlorophenyl)-N'-(2-ethylphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-chlorophenyl)-N'-(2-ethylphenyl)carbamimidothioate Traditional Name: 1-(4-chlorophenyl)-3-(2-ethylphenyl)-2-methyl-isothiourea Formula: C16H17ClN2S MolecularWeight: 304.83758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N=C(NC2=CC=C(C=C2)Cl)SC

Isomeric SMILES

CCC1=CC=CC=C1N=C(NC2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C16H17ClN2S/c1-3-12-6-4-5-7-15(12)19-16(20-2)18-14-10-8-13(17)9-11-14/h4-11H,3H2,1-2H3,(H,18,19)