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

Systemtic Name: 2-ethoxy-4-[(4-phenylpiperazin-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-ethoxy-4-[(4-phenylpiperazin-1-yl)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-ethoxy-4-[mercapto-(4-phenyl-1-piperazinyl)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-ethoxy-4-[(4-phenylpiperazin-1-yl)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-ethoxy-4-[mercapto-(4-phenylpiperazino)methylene]cyclohexa-2,5-dien-1-one Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S/c1-2-23-18-14-15(8-9-17(18)22)19(24)21-12-10-20(11-13-21)16-6-4-3-5-7-16/h3-9,14,24H,2,10-13H2,1H3