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

Systemtic Name: ethyl 3-[[2-[(3-ethoxy-3-oxidanylidene-propyl)carbamothioyl]pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-[(3-ethoxy-3-oxo-propyl)carbamothioyl]pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[[(3-ethoxy-3-oxopropyl)amino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(3-ethoxy-3-oxopropyl)carbamothioyl]pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-[(3-ethoxy-3-keto-propyl)thiocarbamoyl]pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O5S/c1-3-27-16(24)9-10-20-19(29)23-12-6-11-22(23)18(26)21-15-8-5-7-14(13-15)17(25)28-4-2/h5,7-8,13H,3-4,6,9-12H2,1-2H3,(H,20,29)(H,21,26)