3-bromanyl-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[4-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[4-(dimethylsulfamoyl)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C22H28BrN3O4S2 MolecularWeight: 542.50942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)C)Br

InChI

InChI=1S/C22H28BrN3O4S2/c1-4-5-6-7-14-30-20-13-8-16(15-19(20)23)21(27)25-22(31)24-17-9-11-18(12-10-17)32(28,29)26(2)3/h8-13,15H,4-7,14H2,1-3H3,(H2,24,25,27,31)