1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-4-(2,5-dimethyl-3-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione Formula: C20H23ClN2O2S MolecularWeight: 390.92682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O2S/c1-14-12-18(15(2)26-14)19(24)6-7-20(25)23-10-8-22(9-11-23)17-5-3-4-16(21)13-17/h3-5,12-13H,6-11H2,1-2H3