3-iodanyl-4-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[4-(phenylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[[4-(phenylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H18IN3O3S2 MolecularWeight: 551.42039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)I

InChI

InChI=1S/C21H18IN3O3S2/c1-14-7-8-15(13-19(14)22)20(26)24-21(29)23-16-9-11-18(12-10-16)30(27,28)25-17-5-3-2-4-6-17/h2-13,25H,1H3,(H2,23,24,26,29)