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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[[4-(benzylsulfamoyl)phenyl]thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C27H30BrN3O4S2 MolecularWeight: 604.5788

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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)NCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H30BrN3O4S2/c1-2-3-4-8-17-35-25-16-11-21(18-24(25)28)26(32)31-27(36)30-22-12-14-23(15-13-22)37(33,34)29-19-20-9-6-5-7-10-20/h5-7,9-16,18,29H,2-4,8,17,19H2,1H3,(H2,30,31,32,36)