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

Systemtic Name: 2-ethoxy-4-[(4-methylpiperazin-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-ethoxy-4-[(4-methylpiperazin-1-yl)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-ethoxy-4-[mercapto-(4-methyl-1-piperazinyl)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-ethoxy-4-[(4-methylpiperazin-1-yl)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-ethoxy-4-[mercapto-(4-methylpiperazino)methylene]cyclohexa-2,5-dien-1-one Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2S/c1-3-18-13-10-11(4-5-12(13)17)14(19)16-8-6-15(2)7-9-16/h4-5,10,19H,3,6-9H2,1-2H3