4-chloranyl-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-(cyclohexylsulfamoyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[4-(cyclohexylsulfamoyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H21ClN4O5S2 MolecularWeight: 496.98754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O5S2/c21-17-11-6-13(12-18(17)25(27)28)19(26)23-20(31)22-14-7-9-16(10-8-14)32(29,30)24-15-4-2-1-3-5-15/h6-12,15,24H,1-5H2,(H2,22,23,26,31)