2-(3-methylbutoxy)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-(3-methylbutoxy)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-isopentyloxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-(3-methylbutoxy)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-isoamoxy-N-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O4S2/c1-20(2)17-19-34-25-11-7-6-10-24(25)26(31)30-27(35)29-22-12-14-23(15-13-22)36(32,33)28-18-16-21-8-4-3-5-9-21/h3-15,20,28H,16-19H2,1-2H3,(H2,29,30,31,35)