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

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(o-tolyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-(2-methylphenyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(o-tolyl)piperazino]butane-1,4-dione Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)C3=C(SC(=C3)C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)C3=C(SC(=C3)C)C

InChI

InChI=1S/C21H26N2O2S/c1-15-6-4-5-7-19(15)22-10-12-23(13-11-22)21(25)9-8-20(24)18-14-16(2)26-17(18)3/h4-7,14H,8-13H2,1-3H3