1-cyclohexyl-3-(4-hexoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine-2,5-dione

Systemtic Name: 1-cyclohexyl-3-(4-hexoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine-2,5-dione Openeye Name: 1-cyclohexyl-3-(4-hexoxyphenyl)-4-(2-thienylmethyl)piperazine-2,5-dione CAS Name: 1-cyclohexyl-3-(4-hexoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine-2,5-dione IUPAC Name: 1-cyclohexyl-3-(4-hexoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine-2,5-dione Traditional Name: 1-cyclohexyl-3-(4-hexoxyphenyl)-4-(2-thenyl)piperazine-2,5-quinone Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CS3)C4CCCCC4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CS3)C4CCCCC4

InChI

InChI=1S/C27H36N2O3S/c1-2-3-4-8-17-32-23-15-13-21(14-16-23)26-27(31)28(22-10-6-5-7-11-22)20-25(30)29(26)19-24-12-9-18-33-24/h9,12-16,18,22,26H,2-8,10-11,17,19-20H2,1H3