1-(2-oxidanylideneheptan-3-yl)-3-(phenylmethyl)-4-(thiophen-2-ylmethyl)piperazine-2,5-dione

Systemtic Name: 1-(2-oxidanylideneheptan-3-yl)-3-(phenylmethyl)-4-(thiophen-2-ylmethyl)piperazine-2,5-dione Openeye Name: 1-(1-acetylpentyl)-3-benzyl-4-(2-thienylmethyl)piperazine-2,5-dione CAS Name: 1-(2-oxoheptan-3-yl)-3-(phenylmethyl)-4-(thiophen-2-ylmethyl)piperazine-2,5-dione IUPAC Name: 3-benzyl-1-(2-oxoheptan-3-yl)-4-(thiophen-2-ylmethyl)piperazine-2,5-dione Traditional Name: 1-(1-acetylpentyl)-3-benzyl-4-(2-thenyl)piperazine-2,5-quinone Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C)N1CC(=O)N(C(C1=O)CC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

CCCCC(C(=O)C)N1CC(=O)N(C(C1=O)CC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C23H28N2O3S/c1-3-4-12-20(17(2)26)25-16-22(27)24(15-19-11-8-13-29-19)21(23(25)28)14-18-9-6-5-7-10-18/h5-11,13,20-21H,3-4,12,14-16H2,1-2H3