5-bromanyl-N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[4-(dipropylsulfamoyl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[4-(dipropylsulfamoyl)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C21H26BrN3O4S2 MolecularWeight: 528.48284

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H26BrN3O4S2/c1-4-12-25(13-5-2)31(27,28)17-9-7-16(8-10-17)23-21(30)24-20(26)18-14-15(22)6-11-19(18)29-3/h6-11,14H,4-5,12-13H2,1-3H3,(H2,23,24,26,30)