N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3-(dimethylsulfamoyl)benzamide

Systemtic Name: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3-(dimethylsulfamoyl)benzamide Openeye Name: N-[2-cyanoethyl(3-pyridylmethyl)carbamothioyl]-3-(dimethylsulfamoyl)benzamide CAS Name: N-[[2-cyanoethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]-3-(dimethylsulfamoyl)benzamide IUPAC Name: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3-(dimethylsulfamoyl)benzamide Traditional Name: N-[2-cyanoethyl(3-pyridylmethyl)thiocarbamoyl]-3-(dimethylsulfamoyl)benzamide Formula: C19H21N5O3S2 MolecularWeight: 431.53174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3S2/c1-23(2)29(26,27)17-8-3-7-16(12-17)18(25)22-19(28)24(11-5-9-20)14-15-6-4-10-21-13-15/h3-4,6-8,10,12-13H,5,11,14H2,1-2H3,(H,22,25,28)