2,6-dimethoxy-N-[[[(1S,2S)-2-phenylcyclopropyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2,6-dimethoxy-N-[[[(1S,2S)-2-phenylcyclopropyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 2,6-dimethoxy-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]benzamide CAS Name: 2,6-dimethoxy-N-[[[oxo-[(1S,2S)-2-phenylcyclopropyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2,6-dimethoxy-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]benzamide Traditional Name: 2,6-dimethoxy-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiocarbamoyl]benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NNC(=O)C2CC2C3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c1-26-15-9-6-10-16(27-2)17(15)19(25)21-20(28)23-22-18(24)14-11-13(14)12-7-4-3-5-8-12/h3-10,13-14H,11H2,1-2H3,(H,22,24)(H2,21,23,25,28)/t13-,14+/m1/s1