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

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-4-(2,5-dimethyl-3-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCC(=O)C3=C(SC(=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCC(=O)C3=C(SC(=C3)C)C

InChI

InChI=1S/C21H25ClN2O2S/c1-14-4-5-17(22)13-19(14)23-8-10-24(11-9-23)21(26)7-6-20(25)18-12-15(2)27-16(18)3/h4-5,12-13H,6-11H2,1-3H3