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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoyl]benzamide Formula: C27H30BrN3O5S2 MolecularWeight: 620.5782

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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)NC3=CC=C(C=C3)OC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)Br

InChI

InChI=1S/C27H30BrN3O5S2/c1-3-4-5-6-17-36-25-16-7-19(18-24(25)28)26(32)30-27(37)29-20-10-14-23(15-11-20)38(33,34)31-21-8-12-22(35-2)13-9-21/h7-16,18,31H,3-6,17H2,1-2H3,(H2,29,30,32,37)