3-bromanyl-4-(3-methylbutoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H23BrN4O4S3 MolecularWeight: 583.54142

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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=NC=CS3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)Br

InChI

InChI=1S/C22H23BrN4O4S3/c1-14(2)9-11-31-19-8-3-15(13-18(19)23)20(28)26-21(32)25-16-4-6-17(7-5-16)34(29,30)27-22-24-10-12-33-22/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,27)(H2,25,26,28,32)