3,5-dinitro-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(allylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[[4-(prop-2-enylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(allylsulfamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H15N5O7S2 MolecularWeight: 465.4603

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O7S2/c1-2-7-18-31(28,29)15-5-3-12(4-6-15)19-17(30)20-16(23)11-8-13(21(24)25)10-14(9-11)22(26)27/h2-6,8-10,18H,1,7H2,(H2,19,20,23,30)