N-[3-(dimethylsulfamoyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(4-pyridylmethyl)piperazine-1-carbothioamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(pyridin-4-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(4-pyridylmethyl)piperazine-1-carbothioamide Formula: C19H25N5O2S2 MolecularWeight: 419.5641

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C19H25N5O2S2/c1-22(2)28(25,26)18-5-3-4-17(14-18)21-19(27)24-12-10-23(11-13-24)15-16-6-8-20-9-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,27)