1-phenethyl-4-[2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanoyl]piperazine-2,6-dione

Systemtic Name: 1-phenethyl-4-[2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanoyl]piperazine-2,6-dione Openeye Name: 1-phenethyl-4-[2-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)acetyl]piperazine-2,6-dione CAS Name: 4-[1-oxo-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethyl]-1-phenethylpiperazine-2,6-dione IUPAC Name: 1-phenethyl-4-[2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetyl]piperazine-2,6-dione Traditional Name: 1-phenethyl-4-[2-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)acetyl]piperazine-2,6-quinone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CC(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CC(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3)(C)C

InChI

InChI=1S/C21H28N4O3S/c1-15-11-21(2,3)22-20(29)25(15)14-17(26)23-12-18(27)24(19(28)13-23)10-9-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,22,29)