tert-butyl (2S)-2-[(phenylcarbamothioylamino)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(phenylcarbamothioylamino)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(phenylcarbamothioylamino)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[anilino(sulfanylidene)methyl]hydrazo]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(phenylcarbamothioylamino)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(phenylthiocarbamoylamino)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NNC(=S)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C17H24N4O3S/c1-17(2,3)24-16(23)21-11-7-10-13(21)14(22)19-20-15(25)18-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,19,22)(H2,18,20,25)/t13-/m0/s1