methyl N'-(4-chlorophenyl)-N-ethyl-N-phenyl-carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=NC2=CC=C(C=C2)Cl)SC

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=NC2=CC=C(C=C2)Cl)SC

InChI

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