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

Systemtic Name: 3-butoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H22N4O4S3 MolecularWeight: 490.61878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S3/c1-2-3-12-29-17-6-4-5-15(14-17)19(26)24-20(30)23-16-7-9-18(10-8-16)32(27,28)25-21-22-11-13-31-21/h4-11,13-14H,2-3,12H2,1H3,(H,22,25)(H2,23,24,26,30)