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

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]-2-ethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-mercaptomethylidene]-2-ethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]-2-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(3-chlorophenyl)piperazino]-mercapto-methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(N2CCN(CC2)C3=CC(=CC=C3)Cl)S)C=CC1=O

Isomeric SMILES

CCOC1=CC(=C(N2CCN(CC2)C3=CC(=CC=C3)Cl)S)C=CC1=O

InChI

InChI=1S/C19H21ClN2O2S/c1-2-24-18-12-14(6-7-17(18)23)19(25)22-10-8-21(9-11-22)16-5-3-4-15(20)13-16/h3-7,12-13,25H,2,8-11H2,1H3