N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-(dipropylsulfamoyl)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(dipropylsulfamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C20H23N5O7S2 MolecularWeight: 509.55592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O7S2/c1-3-9-23(10-4-2)34(31,32)18-7-5-15(6-8-18)21-20(33)22-19(26)14-11-16(24(27)28)13-17(12-14)25(29)30/h5-8,11-13H,3-4,9-10H2,1-2H3,(H2,21,22,26,33)