3-[4-[(E)-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenyl]sulfanyl-N-(2-hydroxyethyl)benzamide

Systemtic Name: 3-[4-[(E)-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenyl]sulfanyl-N-(2-hydroxyethyl)benzamide Openeye Name: 3-[4-[(E)-3-(4-acetylpiperazin-1-yl)-3-oxo-prop-1-enyl]-2-nitro-phenyl]sulfanyl-N-(2-hydroxyethyl)benzamide CAS Name: 3-[[4-[(E)-3-(4-acetyl-1-piperazinyl)-3-oxoprop-1-enyl]-2-nitrophenyl]thio]-N-(2-hydroxyethyl)benzamide IUPAC Name: 3-[4-[(E)-3-(4-acetylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-nitrophenyl]sulfanyl-N-(2-hydroxyethyl)benzamide Traditional Name: 3-[[4-[(E)-3-(4-acetylpiperazino)-3-keto-prop-1-enyl]-2-nitro-phenyl]thio]-N-(2-hydroxyethyl)benzamide Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC=CC(=C3)C(=O)NCCO)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O6S/c1-17(30)26-10-12-27(13-11-26)23(31)8-6-18-5-7-22(21(15-18)28(33)34)35-20-4-2-3-19(16-20)24(32)25-9-14-29/h2-8,15-16,29H,9-14H2,1H3,(H,25,32)/b8-6+