(E)-3-(1,3-benzodioxol-5-yl)-N-[[[(1S,2S)-2-phenylcyclopropyl]carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[[[(1S,2S)-2-phenylcyclopropyl]carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[[[oxo-[(1S,2S)-2-phenylcyclopropyl]methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiocarbamoyl]acrylamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)NNC(=S)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@H]1C(=O)NNC(=S)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4S/c25-19(9-7-13-6-8-17-18(10-13)28-12-27-17)22-21(29)24-23-20(26)16-11-15(16)14-4-2-1-3-5-14/h1-10,15-16H,11-12H2,(H,23,26)(H2,22,24,25,29)/b9-7+/t15-,16+/m1/s1