3-(4-bromophenyl)-N-[[[(1R,2R)-2-phenylcyclopropyl]carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: 3-(4-bromophenyl)-N-[[[(1R,2R)-2-phenylcyclopropyl]carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: 3-(4-bromophenyl)-N-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]prop-2-enamide CAS Name: 3-(4-bromophenyl)-N-[[[oxo-[(1R,2R)-2-phenylcyclopropyl]methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-bromophenyl)-N-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]prop-2-enamide Traditional Name: 3-(4-bromophenyl)-N-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]thiocarbamoyl]acrylamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

C1[C@H]([C@@H]1C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H18BrN3O2S/c21-15-9-6-13(7-10-15)8-11-18(25)22-20(27)24-23-19(26)17-12-16(17)14-4-2-1-3-5-14/h1-11,16-17H,12H2,(H,23,26)(H2,22,24,25,27)/t16-,17+/m0/s1