1-[(phenylmethyl)carbamoyl]pyrrolidine-2-carbothioate

Systemtic Name: 1-[(phenylmethyl)carbamoyl]pyrrolidine-2-carbothioate Openeye Name: 1-(benzylcarbamoyl)pyrrolidine-2-carbothioate CAS Name: 1-[oxo-[(phenylmethyl)amino]methyl]-2-pyrrolidinecarbothioate IUPAC Name: 1-(benzylcarbamoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(benzylcarbamoyl)pyrrolidine-2-carbothioate Formula: C13H15N2O2S- MolecularWeight: 263.3354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NCC2=CC=CC=C2)C(=S)[O-]

Isomeric SMILES

C1CC(N(C1)C(=O)NCC2=CC=CC=C2)C(=S)[O-]

InChI

InChI=1S/C13H16N2O2S/c16-12(18)11-7-4-8-15(11)13(17)14-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,17)(H,16,18)/p-1