N-(2,6-diethylphenyl)-2-(2-morpholin-4-ylethylcarbamothioyl)pyrazolidine-1-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-2-(2-morpholin-4-ylethylcarbamothioyl)pyrazolidine-1-carboxamide Openeye Name: N-(2,6-diethylphenyl)-2-(2-morpholinoethylcarbamothioyl)pyrazolidine-1-carboxamide CAS Name: N-(2,6-diethylphenyl)-2-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(2,6-diethylphenyl)-2-(2-morpholin-4-ylethylcarbamothioyl)pyrazolidine-1-carboxamide Traditional Name: N-(2,6-diethylphenyl)-2-(2-morpholinoethylthiocarbamoyl)pyrazolidine-1-carboxamide Formula: C21H33N5O2S MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NCCN3CCOCC3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NCCN3CCOCC3

InChI

InChI=1S/C21H33N5O2S/c1-3-17-7-5-8-18(4-2)19(17)23-20(27)25-10-6-11-26(25)21(29)22-9-12-24-13-15-28-16-14-24/h5,7-8H,3-4,6,9-16H2,1-2H3,(H,22,29)(H,23,27)