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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H21BrN4O4S3 MolecularWeight: 569.51484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)Br

InChI

InChI=1S/C21H21BrN4O4S3/c1-2-3-11-30-18-9-4-14(13-17(18)22)19(27)25-20(31)24-15-5-7-16(8-6-15)33(28,29)26-21-23-10-12-32-21/h4-10,12-13H,2-3,11H2,1H3,(H,23,26)(H2,24,25,27,31)