3-[4-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-en-2-yl]-2-nitro-phenyl]sulfanyl-N-(3-imidazol-1-ylpropyl)benzamide

Systemtic Name: 3-[4-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-en-2-yl]-2-nitro-phenyl]sulfanyl-N-(3-imidazol-1-ylpropyl)benzamide Openeye Name: 3-[4-[1-(4-acetylpiperazine-1-carbonyl)vinyl]-2-nitro-phenyl]sulfanyl-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: 3-[[4-[3-(4-acetyl-1-piperazinyl)-3-oxoprop-1-en-2-yl]-2-nitrophenyl]thio]-N-[3-(1-imidazolyl)propyl]benzamide IUPAC Name: 3-[4-[3-(4-acetylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-nitrophenyl]sulfanyl-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: 3-[[4-[1-(4-acetylpiperazine-1-carbonyl)vinyl]-2-nitro-phenyl]thio]-N-(3-imidazol-1-ylpropyl)benzamide Formula: C28H30N6O5S MolecularWeight: 562.64

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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=CC(=C3)C(=O)NCCCN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC(=C3)C(=O)NCCCN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H30N6O5S/c1-20(28(37)33-15-13-32(14-16-33)21(2)35)22-7-8-26(25(18-22)34(38)39)40-24-6-3-5-23(17-24)27(36)30-9-4-11-31-12-10-29-19-31/h3,5-8,10,12,17-19H,1,4,9,11,13-16H2,2H3,(H,30,36)