methyl N'-(2-piperidin-1-ylphenyl)carbamimidothioate

Systemtic Name: methyl N'-(2-piperidin-1-ylphenyl)carbamimidothioate Openeye Name: 2-methyl-3-[2-(1-piperidyl)phenyl]isothiourea CAS Name: N'-[2-(1-piperidinyl)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2-piperidin-1-ylphenyl)carbamimidothioate Traditional Name: 2-methyl-3-(2-piperidinophenyl)isothiourea Formula: C13H19N3S MolecularWeight: 249.37506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC=C1N2CCCCC2)N

Isomeric SMILES

CSC(=NC1=CC=CC=C1N2CCCCC2)N

InChI

InChI=1S/C13H19N3S/c1-17-13(14)15-11-7-3-4-8-12(11)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,14,15)