methyl N-[(4-chlorophenyl)methyl]-N'-methyl-carbamimidothioate

Systemtic Name: methyl N-[(4-chlorophenyl)methyl]-N'-methyl-carbamimidothioate Openeye Name: 1-[(4-chlorophenyl)methyl]-2,3-dimethyl-isothiourea CAS Name: N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioate Traditional Name: 1-(4-chlorobenzyl)-2,3-dimethyl-isothiourea Formula: C10H13ClN2S MolecularWeight: 228.74162

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCC1=CC=C(C=C1)Cl)SC

Isomeric SMILES

CN=C(NCC1=CC=C(C=C1)Cl)SC

InChI

InChI=1S/C10H13ClN2S/c1-12-10(14-2)13-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3,(H,12,13)