N-[[[(1S,2S)-2-phenylcyclopropyl]carbonylamino]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[[(1S,2S)-2-phenylcyclopropyl]carbonylamino]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[[oxo-[(1S,2S)-2-phenylcyclopropyl]methyl]hydrazo]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiocarbamoyl]nicotinamide Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)NNC(=S)NC(=O)C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1[C@@H]([C@H]1C(=O)NNC(=S)NC(=O)C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c22-15(12-7-4-8-18-10-12)19-17(24)21-20-16(23)14-9-13(14)11-5-2-1-3-6-11/h1-8,10,13-14H,9H2,(H,20,23)(H2,19,21,22,24)/t13-,14+/m1/s1