N-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: N-[(1,3-benzodioxole-5-carbonylamino)carbamothioyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name: N-[(1,3-benzodioxole-5-carbonylamino)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-3-phenyl-N-[(piperonyloylamino)thiocarbamoyl]isoxazole-4-carboxamide Formula: C20H16N4O5S MolecularWeight: 424.42984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16N4O5S/c1-11-16(17(24-29-11)12-5-3-2-4-6-12)19(26)21-20(30)23-22-18(25)13-7-8-14-15(9-13)28-10-27-14/h2-9H,10H2,1H3,(H,22,25)(H2,21,23,26,30)