ethyl 2-[[2-(1-phenylcyclopropyl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate

Systemtic Name: ethyl 2-[[2-(1-phenylcyclopropyl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: ethyl 2-[[2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[oxo-(1-phenylcyclopropyl)methyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioyl]amino]acetic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N1CCCN1C(=O)C2(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=S)N1CCCN1C(=O)C2(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S/c1-2-24-15(22)13-19-17(25)21-12-6-11-20(21)16(23)18(9-10-18)14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H,19,25)