methyl N'-[2-[(3-methylpyridin-2-yl)methylsulfanyl]ethyl]-N-(phenylcarbonyl)carbamimidothioate

Systemtic Name: methyl N'-[2-[(3-methylpyridin-2-yl)methylsulfanyl]ethyl]-N-(phenylcarbonyl)carbamimidothioate Openeye Name: N-[N-[2-[(3-methyl-2-pyridyl)methylsulfanyl]ethyl]-C-methylsulfanyl-carbonimidoyl]benzamide CAS Name: N-benzoyl-N'-[2-[(3-methyl-2-pyridinyl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzoyl-N'-[2-[(3-methylpyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: N-[N-[2-[(3-methyl-2-pyridyl)methylthio]ethyl]-C-(methylthio)carbonimidoyl]benzamide Formula: C18H21N3OS2 MolecularWeight: 359.50884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CSCCN=C(NC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CC1=C(N=CC=C1)CSCCN=C(NC(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C18H21N3OS2/c1-14-7-6-10-19-16(14)13-24-12-11-20-18(23-2)21-17(22)15-8-4-3-5-9-15/h3-10H,11-13H2,1-2H3,(H,20,21,22)