4-chloranyl-N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-[cyclohexyl(methyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H23ClN4O5S2 MolecularWeight: 511.01412

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O5S2/c1-25(16-5-3-2-4-6-16)33(30,31)17-10-8-15(9-11-17)23-21(32)24-20(27)14-7-12-18(22)19(13-14)26(28)29/h7-13,16H,2-6H2,1H3,(H2,23,24,27,32)