N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]-4-(trifluoromethyloxy)benzamide

Systemtic Name: N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]-4-(trifluoromethyloxy)benzamide Openeye Name: N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]-4-(trifluoromethoxy)benzamide CAS Name: N-[[(2-phenyl-1,3-benzodioxol-5-yl)amino]-sulfanylidenemethyl]-4-(trifluoromethoxy)benzamide IUPAC Name: N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]-4-(trifluoromethoxy)benzamide Traditional Name: N-[(2-phenyl-1,3-benzodioxol-5-yl)thiocarbamoyl]-4-(trifluoromethoxy)benzamide Formula: C22H15F3N2O4S MolecularWeight: 460.42571

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2OC3=C(O2)C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2OC3=C(O2)C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C22H15F3N2O4S/c23-22(24,25)31-16-9-6-13(7-10-16)19(28)27-21(32)26-15-8-11-17-18(12-15)30-20(29-17)14-4-2-1-3-5-14/h1-12,20H,(H2,26,27,28,32)