4-chloranyl-3-nitro-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(allylsulfamoyl)phenyl]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[[4-(prop-2-enylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(allylsulfamoyl)phenyl]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C17H15ClN4O5S2 MolecularWeight: 454.9078

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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(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O5S2/c1-2-9-19-29(26,27)13-6-4-12(5-7-13)20-17(28)21-16(23)11-3-8-14(18)15(10-11)22(24)25/h2-8,10,19H,1,9H2,(H2,20,21,23,28)