1-(2,5-dimethylphenyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylphenyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(2,5-dimethylphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethylphenyl)-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethylphenyl)-4-[4-(2-thenoyl)piperazino]butane-1,4-dione Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

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