3-bromanyl-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[4-[ethyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C28H32BrN3O4S2 MolecularWeight: 618.60538

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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)N(CC)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3)Br

InChI

InChI=1S/C28H32BrN3O4S2/c1-3-5-6-10-19-36-26-18-13-21(20-25(26)29)27(33)31-28(37)30-22-14-16-24(17-15-22)38(34,35)32(4-2)23-11-8-7-9-12-23/h7-9,11-18,20H,3-6,10,19H2,1-2H3,(H2,30,31,33,37)