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

Systemtic Name: 4-chloranyl-N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C22H19ClN4O5S2 MolecularWeight: 518.99306

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN4O5S2/c1-26(14-15-5-3-2-4-6-15)34(31,32)18-10-8-17(9-11-18)24-22(33)25-21(28)16-7-12-19(23)20(13-16)27(29)30/h2-13H,14H2,1H3,(H2,24,25,28,33)