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

Systemtic Name: 3-(3-methylbutoxy)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-isopentyloxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-(3-methylbutoxy)-N-[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(3-methylbutoxy)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-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(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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