2-[[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamothioylamino]methylidene]propanediamide

Systemtic Name: 2-[[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamothioylamino]methylidene]propanediamide Openeye Name: 2-[[[4-(2-pyridylsulfamoyl)phenyl]carbamothioylamino]methylene]propanediamide CAS Name: 2-[[[[4-(2-pyridinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]methylidene]propanediamide IUPAC Name: 2-[[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamothioylamino]methylidene]propanediamide Traditional Name: 2-[[[4-(2-pyridylsulfamoyl)phenyl]thiocarbamoylamino]methylene]malonamide Formula: C16H16N6O4S2 MolecularWeight: 420.46604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC=C(C(=O)N)C(=O)N

Isomeric SMILES

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC=C(C(=O)N)C(=O)N

InChI

InChI=1S/C16H16N6O4S2/c17-14(23)12(15(18)24)9-20-16(27)21-10-4-6-11(7-5-10)28(25,26)22-13-3-1-2-8-19-13/h1-9H,(H2,17,23)(H2,18,24)(H,19,22)(H2,20,21,27)