1-[1-[(phenylmethyl)carbamothioyl]pyrrolidin-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-[(phenylmethyl)carbamothioyl]pyrrolidin-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-(benzylcarbamothioyl)pyrrolidin-2-yl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-pyrrolidinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-(benzylcarbamothioyl)pyrrolidin-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-(benzylthiocarbamoyl)pyrrolidin-2-yl]proline Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2CCCN2C(=S)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C2CCCN2C(=S)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H23N3O2S/c21-16(22)14-8-4-10-19(14)15-9-5-11-20(15)17(23)18-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,18,23)(H,21,22)