tert-butyl (2S)-2-[[(1R)-1-phenylpropyl]carbamothioyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(1R)-1-phenylpropyl]carbamothioyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(1R)-1-phenylpropyl]carbamothioyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(1R)-1-phenylpropyl]amino]-sulfanylidenemethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(1R)-1-phenylpropyl]carbamothioyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1R)-1-phenylpropyl]thiocarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H28N2O2S MolecularWeight: 348.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=S)C2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)NC(=S)[C@@H]2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C19H28N2O2S/c1-5-15(14-10-7-6-8-11-14)20-17(24)16-12-9-13-21(16)18(22)23-19(2,3)4/h6-8,10-11,15-16H,5,9,12-13H2,1-4H3,(H,20,24)/t15-,16+/m1/s1