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

Systemtic Name: 3-bromanyl-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[4-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[4-(dimethylsulfamoyl)phenyl]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C21H26BrN3O4S2 MolecularWeight: 528.48284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O4S2/c1-14(2)11-12-29-19-10-5-15(13-18(19)22)20(26)24-21(30)23-16-6-8-17(9-7-16)31(27,28)25(3)4/h5-10,13-14H,11-12H2,1-4H3,(H2,23,24,26,30)