1-(2-cyanoethyl)-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-1-(3-pyridylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-1-(3-pyridylmethyl)thiourea Formula: C19H23N5O2S2 MolecularWeight: 417.54822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C19H23N5O2S2/c1-15-7-8-17(28(25,26)23(2)3)12-18(15)22-19(27)24(11-5-9-20)14-16-6-4-10-21-13-16/h4,6-8,10,12-13H,5,11,14H2,1-3H3,(H,22,27)