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

Systemtic Name: 4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]-2-methoxy-6-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanyl-methylene]-2-hydroxy-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(2-chlorophenyl)-1-piperazinyl]-mercaptomethylidene]-2-hydroxy-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]-2-hydroxy-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(2-chlorophenyl)piperazino]-mercapto-methylene]-2-hydroxy-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(N2CCN(CC2)C3=CC=CC=C3Cl)S)C=C(C1=O)O

Isomeric SMILES

COC1=CC(=C(N2CCN(CC2)C3=CC=CC=C3Cl)S)C=C(C1=O)O

InChI

InChI=1S/C18H19ClN2O3S/c1-24-16-11-12(10-15(22)17(16)23)18(25)21-8-6-20(7-9-21)14-5-3-2-4-13(14)19/h2-5,10-11,22,25H,6-9H2,1H3