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

Systemtic Name: 3-bromanyl-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[4-(cyclohexylsulfamoyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[4-(cyclohexylsulfamoyl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C22H26BrN3O4S2 MolecularWeight: 540.49354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3)Br

InChI

InChI=1S/C22H26BrN3O4S2/c1-2-30-20-13-8-15(14-19(20)23)21(27)25-22(31)24-16-9-11-18(12-10-16)32(28,29)26-17-6-4-3-5-7-17/h8-14,17,26H,2-7H2,1H3,(H2,24,25,27,31)