(phenylmethyl) 2-(cyclopentylcarbamothioyl)pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(cyclopentylcarbamothioyl)pyrazolidine-1-carboxylate Openeye Name: benzyl 2-(cyclopentylcarbamothioyl)pyrazolidine-1-carboxylate CAS Name: 2-[(cyclopentylamino)-sulfanylidenemethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(cyclopentylcarbamothioyl)pyrazolidine-1-carboxylate Traditional Name: 2-(cyclopentylthiocarbamoyl)pyrazolidine-1-carboxylic acid benzyl ester Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)N2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)NC(=S)N2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H23N3O2S/c21-17(22-13-14-7-2-1-3-8-14)20-12-6-11-19(20)16(23)18-15-9-4-5-10-15/h1-3,7-8,15H,4-6,9-13H2,(H,18,23)