ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate

Systemtic Name: ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate Openeye Name: ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate CAS Name: (2S,5R)-4-[anilino(sulfanylidene)methyl]-2,5-dimethyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,5R)-2,5-dimethyl-4-(phenylcarbamothioyl)piperazine-1-carboxylate Traditional Name: (2S,5R)-2,5-dimethyl-4-(phenylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC(N(CC1C)C(=S)NC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)N1C[C@H](N(C[C@@H]1C)C(=S)NC2=CC=CC=C2)C

InChI

InChI=1S/C16H23N3O2S/c1-4-21-16(20)19-11-12(2)18(10-13(19)3)15(22)17-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,22)/t12-,13+/m1/s1