N-[3-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide Openeye Name: N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide CAS Name: N-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-2-(methylthio)-3-phenyl-4-imidazolecarboxamide IUPAC Name: N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide Traditional Name: 2-(methylthio)-3-phenyl-N-[3-(piperonyloylamino)phenyl]imidazole-4-carboxamide Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N4O4S/c1-34-25-26-14-20(29(25)19-8-3-2-4-9-19)24(31)28-18-7-5-6-17(13-18)27-23(30)16-10-11-21-22(12-16)33-15-32-21/h2-14H,15H2,1H3,(H,27,30)(H,28,31)