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

Systemtic Name: N-(phenylmethyl)-3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzamide Openeye Name: N-benzyl-3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzamide CAS Name: N-(phenylmethyl)-3-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-benzyl-3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]benzamide Formula: C25H22N6O3S2 MolecularWeight: 518.61058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C25H22N6O3S2/c32-23(28-17-18-6-2-1-3-7-18)19-8-4-9-21(16-19)30-25(35)29-20-10-12-22(13-11-20)36(33,34)31-24-26-14-5-15-27-24/h1-16H,17H2,(H,28,32)(H,26,27,31)(H2,29,30,35)