3-bromanyl-4-butoxy-N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-bromo-4-butoxy-benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-bromo-4-butoxybenzamide Traditional Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoyl]-3-bromo-4-butoxy-benzamide Formula: C26H28BrN3O4S2 MolecularWeight: 590.55222

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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)N(C)CC3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3)Br

InChI

InChI=1S/C26H28BrN3O4S2/c1-3-4-16-34-24-15-10-20(17-23(24)27)25(31)29-26(35)28-21-11-13-22(14-12-21)36(32,33)30(2)18-19-8-6-5-7-9-19/h5-15,17H,3-4,16,18H2,1-2H3,(H2,28,29,31,35)