(Z)-2-cyano-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamothioylamino]prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamothioylamino]prop-2-enamide Openeye Name: (Z)-2-cyano-3-[[4-(2-pyridylsulfamoyl)phenyl]carbamothioylamino]prop-2-enamide CAS Name: (Z)-2-cyano-3-[[[4-(2-pyridinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-2-propenamide IUPAC Name: (Z)-2-cyano-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamothioylamino]prop-2-enamide Traditional Name: (Z)-2-cyano-3-[[4-(2-pyridylsulfamoyl)phenyl]thiocarbamoylamino]acrylamide Formula: C16H14N6O3S2 MolecularWeight: 402.45076

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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#N)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O3S2/c17-9-11(15(18)23)10-20-16(26)21-12-4-6-13(7-5-12)27(24,25)22-14-3-1-2-8-19-14/h1-8,10H,(H2,18,23)(H,19,22)(H2,20,21,26)/b11-10-