1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)-4-(thiophen-2-ylmethyl)piperazine-2,5-dione

Systemtic Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)-4-(thiophen-2-ylmethyl)piperazine-2,5-dione Openeye Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)-4-(2-thienylmethyl)piperazine-2,5-dione CAS Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine-2,5-dione IUPAC Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine-2,5-dione Traditional Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)-4-(2-thenyl)piperazine-2,5-quinone Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CS3)C4CCCCCC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CS3)C4CCCCCC4)OC

InChI

InChI=1S/C25H32N2O4S/c1-3-31-21-13-12-18(15-22(21)30-2)24-25(29)26(19-9-6-4-5-7-10-19)17-23(28)27(24)16-20-11-8-14-32-20/h8,11-15,19,24H,3-7,9-10,16-17H2,1-2H3