methyl N-(4-chlorophenyl)carbonyl-N'-propyl-carbamimidothioate

Systemtic Name: methyl N-(4-chlorophenyl)carbonyl-N'-propyl-carbamimidothioate Openeye Name: 4-chloro-N-(C-methylsulfanyl-N-propyl-carbonimidoyl)benzamide CAS Name: N-[(4-chlorophenyl)-oxomethyl]-N'-propylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-chlorobenzoyl)-N'-propylcarbamimidothioate Traditional Name: 4-chloro-N-[C-(methylthio)-N-propyl-carbonimidoyl]benzamide Formula: C12H15ClN2OS MolecularWeight: 270.7783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(NC(=O)C1=CC=C(C=C1)Cl)SC

Isomeric SMILES

CCCN=C(NC(=O)C1=CC=C(C=C1)Cl)SC

InChI

InChI=1S/C12H15ClN2OS/c1-3-8-14-12(17-2)15-11(16)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3,(H,14,15,16)