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

Systemtic Name: 3-bromanyl-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-(cyclohexylsulfamoyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[4-(cyclohexylsulfamoyl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H24BrN3O4S2 MolecularWeight: 526.46696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3)Br

InChI

InChI=1S/C21H24BrN3O4S2/c1-29-19-12-7-14(13-18(19)22)20(26)24-21(30)23-15-8-10-17(11-9-15)31(27,28)25-16-5-3-2-4-6-16/h7-13,16,25H,2-6H2,1H3,(H2,23,24,26,30)