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

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(phenylcarbonyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzoylpiperazin-1-yl)-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione CAS Name: 1-(4-benzoyl-1-piperazinyl)-4-(2,5-dimethyl-3-thiophenyl)butane-1,4-dione IUPAC Name: 1-(4-benzoylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione Traditional Name: 1-(4-benzoylpiperazino)-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-15-14-18(16(2)27-15)19(24)8-9-20(25)22-10-12-23(13-11-22)21(26)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3