methyl N'-(2-methyl-6-piperidin-1-yl-phenyl)carbamimidothioate

Systemtic Name: methyl N'-(2-methyl-6-piperidin-1-yl-phenyl)carbamimidothioate Openeye Name: 2-methyl-3-[2-methyl-6-(1-piperidyl)phenyl]isothiourea CAS Name: N'-[2-methyl-6-(1-piperidinyl)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2-methyl-6-piperidin-1-ylphenyl)carbamimidothioate Traditional Name: 2-methyl-3-(2-methyl-6-piperidino-phenyl)isothiourea Formula: C14H21N3S MolecularWeight: 263.40164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)N=C(N)SC

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)N=C(N)SC

InChI

InChI=1S/C14H21N3S/c1-11-7-6-8-12(13(11)16-14(15)18-2)17-9-4-3-5-10-17/h6-8H,3-5,9-10H2,1-2H3,(H2,15,16)