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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[4-(3-morpholin-4-ylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3-morpholinophenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[[3-(4-morpholinyl)phenyl]thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3-morpholin-4-ylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(3-morpholinophenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C25H28N4O5S MolecularWeight: 496.57862

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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)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC(=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O5S/c1-18(25(31)28-10-8-26(9-11-28)19(2)30)20-6-7-24(23(16-20)29(32)33)35-22-5-3-4-21(17-22)27-12-14-34-15-13-27/h3-7,16-17H,1,8-15H2,2H3