(E)-N-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(1,3-benzodioxole-5-carbonylamino)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(1,3-benzodioxole-5-carbonylamino)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-3-phenyl-N-[(piperonyloylamino)thiocarbamoyl]acrylamide Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O4S/c22-16(9-6-12-4-2-1-3-5-12)19-18(26)21-20-17(23)13-7-8-14-15(10-13)25-11-24-14/h1-10H,11H2,(H,20,23)(H2,19,21,22,26)/b9-6+