N-(2,6-diethylphenyl)-2-(furan-2-ylmethylcarbamothioyl)pyrazolidine-1-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-2-(furan-2-ylmethylcarbamothioyl)pyrazolidine-1-carboxamide Openeye Name: N-(2,6-diethylphenyl)-2-(2-furylmethylcarbamothioyl)pyrazolidine-1-carboxamide CAS Name: N-(2,6-diethylphenyl)-2-[(2-furanylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(2,6-diethylphenyl)-2-(furan-2-ylmethylcarbamothioyl)pyrazolidine-1-carboxamide Traditional Name: N-(2,6-diethylphenyl)-2-(2-furfurylthiocarbamoyl)pyrazolidine-1-carboxamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NCC3=CC=CO3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NCC3=CC=CO3

InChI

InChI=1S/C20H26N4O2S/c1-3-15-8-5-9-16(4-2)18(15)22-19(25)23-11-7-12-24(23)20(27)21-14-17-10-6-13-26-17/h5-6,8-10,13H,3-4,7,11-12,14H2,1-2H3,(H,21,27)(H,22,25)