3,4,5-trimethoxy-N-[[[(1S,2S)-2-phenylcyclopropyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[[[(1S,2S)-2-phenylcyclopropyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[[oxo-[(1S,2S)-2-phenylcyclopropyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiocarbamoyl]benzamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)C2CC2C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5S/c1-27-16-9-13(10-17(28-2)18(16)29-3)19(25)22-21(30)24-23-20(26)15-11-14(15)12-7-5-4-6-8-12/h4-10,14-15H,11H2,1-3H3,(H,23,26)(H2,22,24,25,30)/t14-,15+/m1/s1