4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-mercaptomethylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(3-chlorophenyl)piperazino]-mercapto-methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(N2CCN(CC2)C3=CC(=CC=C3)Cl)S)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=C(N2CCN(CC2)C3=CC(=CC=C3)Cl)S)C=C(C1=O)OC

InChI

InChI=1S/C19H21ClN2O3S/c1-24-16-10-13(11-17(25-2)18(16)23)19(26)22-8-6-21(7-9-22)15-5-3-4-14(20)12-15/h3-5,10-12,26H,6-9H2,1-2H3