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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(phenylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[4-(phenylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H26BrN3O4S2 MolecularWeight: 576.52564

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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)NC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)Br

InChI

InChI=1S/C25H26BrN3O4S2/c1-17(2)14-15-33-23-13-8-18(16-22(23)26)24(30)28-25(34)27-19-9-11-21(12-10-19)35(31,32)29-20-6-4-3-5-7-20/h3-13,16-17,29H,14-15H2,1-2H3,(H2,27,28,30,34)