N-[3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetamide CAS Name: N-[3-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetamide Traditional Name: N-[3-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]phenyl]acetamide Formula: C19H18N6O3S2 MolecularWeight: 442.51462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C19H18N6O3S2/c1-13(26)22-15-4-2-5-16(12-15)24-19(29)23-14-6-8-17(9-7-14)30(27,28)25-18-20-10-3-11-21-18/h2-12H,1H3,(H,22,26)(H,20,21,25)(H2,23,24,29)