3-bromanyl-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[4-(cyclohexylsulfamoyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[4-(cyclohexylsulfamoyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C21H24BrN3O3S2 MolecularWeight: 510.46756

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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)NC3CCCCC3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3)Br

InChI

InChI=1S/C21H24BrN3O3S2/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/h7-13,17,25H,2-6H2,1H3,(H2,23,24,26,29)