potassium 2-chloranyl-4-[(E)-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]benzenethiolate

Systemtic Name: potassium 2-chloranyl-4-[(E)-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]benzenethiolate Openeye Name: potassium 4-[(E)-3-(4-acetylpiperazin-1-yl)-3-oxo-prop-1-enyl]-2-chloro-benzenethiolate CAS Name: potassium 4-[(E)-3-(4-acetyl-1-piperazinyl)-3-oxoprop-1-enyl]-2-chlorobenzenethiolate IUPAC Name: potassium 4-[(E)-3-(4-acetylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-chlorobenzenethiolate Traditional Name: potassium 4-[(E)-3-(4-acetylpiperazino)-3-keto-prop-1-enyl]-2-chloro-benzenethiolate Formula: C15H16ClKN2O2S MolecularWeight: 362.91604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)[S-])Cl.[K+]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)[S-])Cl.[K+]

InChI

InChI=1S/C15H17ClN2O2S.K/c1-11(19)17-6-8-18(9-7-17)15(20)5-3-12-2-4-14(21)13(16)10-12;/h2-5,10,21H,6-9H2,1H3;/q;+1/p-1/b5-3+;