(E)-3-(3-chloranyl-4-sulfanyl-phenyl)-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-4-sulfanyl-phenyl)-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-(3-chloro-4-sulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-(3-chloro-4-mercaptophenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-(3-chloro-4-sulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-(3-chloro-4-mercapto-phenyl)prop-2-en-1-one Formula: C15H17ClN2O2S MolecularWeight: 324.82568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)S)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)S)Cl

InChI

InChI=1S/C15H17ClN2O2S/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/b5-3+