N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-4-(diethylsulfamoyl)benzamide

Systemtic Name: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-4-(diethylsulfamoyl)benzamide Openeye Name: N-[2-cyanoethyl(3-pyridylmethyl)carbamothioyl]-4-(diethylsulfamoyl)benzamide CAS Name: N-[[2-cyanoethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]-4-(diethylsulfamoyl)benzamide IUPAC Name: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-4-(diethylsulfamoyl)benzamide Traditional Name: N-[2-cyanoethyl(3-pyridylmethyl)thiocarbamoyl]-4-(diethylsulfamoyl)benzamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3S2/c1-3-26(4-2)31(28,29)19-10-8-18(9-11-19)20(27)24-21(30)25(14-6-12-22)16-17-7-5-13-23-15-17/h5,7-11,13,15H,3-4,6,14,16H2,1-2H3,(H,24,27,30)