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

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-mercaptomethylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(3-chlorophenyl)piperazino]-mercapto-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(N2CCN(CC2)C3=CC(=CC=C3)Cl)S)C=CC1=O

Isomeric SMILES

COC1=CC(=C(N2CCN(CC2)C3=CC(=CC=C3)Cl)S)C=CC1=O

InChI

InChI=1S/C18H19ClN2O2S/c1-23-17-11-13(5-6-16(17)22)18(24)21-9-7-20(8-10-21)15-4-2-3-14(19)12-15/h2-6,11-12,24H,7-10H2,1H3