3-bromanyl-4-(3-methylbutoxy)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C27H30BrN3O4S2 MolecularWeight: 604.5788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H30BrN3O4S2/c1-19(2)15-17-35-25-13-8-21(18-24(25)28)26(32)31-27(36)30-22-9-11-23(12-10-22)37(33,34)29-16-14-20-6-4-3-5-7-20/h3-13,18-19,29H,14-17H2,1-2H3,(H2,30,31,32,36)