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

Systemtic Name: 3,4-dimethoxy-N-[[[(1S,2S)-2-phenylcyclopropyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3,4-dimethoxy-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]benzamide CAS Name: 3,4-dimethoxy-N-[[[oxo-[(1S,2S)-2-phenylcyclopropyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]benzamide Traditional Name: 3,4-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=C(C=C1)C(=O)NC(=S)NNC(=O)C2CC2C3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-26-16-9-8-13(10-17(16)27-2)18(24)21-20(28)23-22-19(25)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15H,11H2,1-2H3,(H,22,25)(H2,21,23,24,28)/t14-,15+/m1/s1