ethyl 3-[[2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioyl]pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioyl]pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-[(2-ethoxy-2-oxo-ethyl)carbamothioyl]pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[[(2-ethoxy-2-oxoethyl)amino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2-ethoxy-2-oxoethyl)carbamothioyl]pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-[(2-ethoxy-2-keto-ethyl)thiocarbamoyl]pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N1CCCN1C(=O)NC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)CNC(=S)N1CCCN1C(=O)NC2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C18H24N4O5S/c1-3-26-15(23)12-19-18(28)22-10-6-9-21(22)17(25)20-14-8-5-7-13(11-14)16(24)27-4-2/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,19,28)(H,20,25)