1-(4-ethanoylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(4-hydroxyphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(4-hydroxyphenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S/c1-14(21(27)23-11-9-22(10-12-23)15(2)25)16-3-8-20(19(13-16)24(28)29)30-18-6-4-17(26)5-7-18/h3-8,13,26H,1,9-12H2,2H3