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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H25BrN4O4S3 MolecularWeight: 597.568

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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)NC3=NC=CS3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)Br

InChI

InChI=1S/C23H25BrN4O4S3/c1-2-3-4-5-13-32-20-11-6-16(15-19(20)24)21(29)27-22(33)26-17-7-9-18(10-8-17)35(30,31)28-23-25-12-14-34-23/h6-12,14-15H,2-5,13H2,1H3,(H,25,28)(H2,26,27,29,33)