tert-butyl 4-[2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NCCOC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NCCOC

InChI

InChI=1S/C21H31N3O5S/c1-21(2,3)29-20(27)24-12-10-23(11-13-24)19(26)16-7-5-6-8-17(16)30-15-18(25)22-9-14-28-4/h5-8H,9-15H2,1-4H3,(H,22,25)