tert-butyl 4-[4-(1,3-dithian-2-yl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(1,3-dithian-2-yl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,3-dithian-2-yl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,3-dithian-2-yl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,3-dithian-2-yl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28N2O3S2 MolecularWeight: 408.57792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C20H28N2O3S2/c1-20(2,3)25-19(24)22-11-9-21(10-12-22)17(23)15-5-7-16(8-6-15)18-26-13-4-14-27-18/h5-8,18H,4,9-14H2,1-3H3