(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-1-piperazin-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-1-piperazin-1-yl-prop-2-en-1-one Openeye Name: (E)-3-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]-1-piperazin-1-yl-prop-2-en-1-one CAS Name: (E)-3-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-(1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]-1-piperazin-1-ylprop-2-en-1-one Traditional Name: (E)-3-[3-nitro-4-(o-cumenylthio)phenyl]-1-piperazino-prop-2-en-1-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCNCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCNCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O3S/c1-16(2)18-5-3-4-6-20(18)29-21-9-7-17(15-19(21)25(27)28)8-10-22(26)24-13-11-23-12-14-24/h3-10,15-16,23H,11-14H2,1-2H3/b10-8+