1-(2-cyanoethyl)-3-[3-(dimethylsulfamoyl)phenyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-[3-(dimethylsulfamoyl)phenyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-[3-(dimethylsulfamoyl)phenyl]-1-(3-pyridylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-[3-(dimethylsulfamoyl)phenyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-[3-(dimethylsulfamoyl)phenyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-[3-(dimethylsulfamoyl)phenyl]-1-(3-pyridylmethyl)thiourea Formula: C18H21N5O2S2 MolecularWeight: 403.52164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C18H21N5O2S2/c1-22(2)27(24,25)17-8-3-7-16(12-17)21-18(26)23(11-5-9-19)14-15-6-4-10-20-13-15/h3-4,6-8,10,12-13H,5,11,14H2,1-2H3,(H,21,26)