3-phenethyloxy-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-phenethyloxy-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(allylsulfamoyl)phenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: 3-phenethyloxy-N-[[4-(prop-2-enylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-phenethyloxy-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(allylsulfamoyl)phenyl]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S2/c1-2-16-26-34(30,31)23-13-11-21(12-14-23)27-25(33)28-24(29)20-9-6-10-22(18-20)32-17-15-19-7-4-3-5-8-19/h2-14,18,26H,1,15-17H2,(H2,27,28,29,33)