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

Systemtic Name: S-(2-azanylethyl) 2-[(phenylmethyl)carbamoyl]pyrrolidine-1-carbothioate Openeye Name: S-(2-aminoethyl) 2-(benzylcarbamoyl)pyrrolidine-1-carbothioate CAS Name: 2-[oxo-[(phenylmethyl)amino]methyl]-1-pyrrolidinecarbothioic acid S-(2-aminoethyl) ester IUPAC Name: S-(2-aminoethyl) 2-(benzylcarbamoyl)pyrrolidine-1-carbothioate Traditional Name: 2-(benzylcarbamoyl)pyrrolidine-1-carbothioic acid S-(2-aminoethyl) ester Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)SCCN)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

C1CC(N(C1)C(=O)SCCN)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C15H21N3O2S/c16-8-10-21-15(20)18-9-4-7-13(18)14(19)17-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,16H2,(H,17,19)