1-(5-chloranylthiophen-2-yl)-4-[4-(4-ethanoylphenyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-[4-(4-ethanoylphenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(5-chloro-2-thienyl)butane-1,4-dione CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-4-(5-chloro-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(5-chlorothiophen-2-yl)butane-1,4-dione Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-4-(5-chloro-2-thienyl)butane-1,4-dione Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-14(24)15-2-4-16(5-3-15)22-10-12-23(13-11-22)20(26)9-6-17(25)18-7-8-19(21)27-18/h2-5,7-8H,6,9-13H2,1H3