tert-butyl (2S)-2-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]carbamothioyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]carbamothioyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[2-(benzylamino)-2-oxo-ethyl]carbamothioyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[2-oxo-2-[(phenylmethyl)amino]ethyl]amino]-sulfanylidenemethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(benzylamino)-2-oxoethyl]carbamothioyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[2-(benzylamino)-2-keto-ethyl]thiocarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=S)NCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=S)NCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H27N3O3S/c1-19(2,3)25-18(24)22-11-7-10-15(22)17(26)21-13-16(23)20-12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,20,23)(H,21,26)/t15-/m0/s1