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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[3-nitro-4-(2-pyrrolidin-1-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[3-nitro-4-(2-pyrrolidin-1-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[3-nitro-4-[[2-(1-pyrrolidinyl)phenyl]thio]phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[3-nitro-4-(2-pyrrolidin-1-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[3-nitro-4-[(2-pyrrolidinophenyl)thio]phenyl]prop-2-en-1-one Formula: C25H28N4O4S MolecularWeight: 480.57922

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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=C3N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O4S/c1-18(25(31)28-15-13-26(14-16-28)19(2)30)20-9-10-24(22(17-20)29(32)33)34-23-8-4-3-7-21(23)27-11-5-6-12-27/h3-4,7-10,17H,1,5-6,11-16H2,2H3