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

Systemtic Name: 3-bromanyl-4-propoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-propoxy-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-propoxy-N-[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]benzamide IUPAC Name: 3-bromo-4-propoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-propoxy-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C20H19BrN4O4S3 MolecularWeight: 555.48826

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)Br

InChI

InChI=1S/C20H19BrN4O4S3/c1-2-10-29-17-8-3-13(12-16(17)21)18(26)24-19(30)23-14-4-6-15(7-5-14)32(27,28)25-20-22-9-11-31-20/h3-9,11-12H,2,10H2,1H3,(H,22,25)(H2,23,24,26,30)