4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carbaldehyde Openeye Name: 4-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazine-1-carbaldehyde CAS Name: 4-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-1-carbaldehyde Traditional Name: 4-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-1-carbaldehyde Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O4S/c1-16(2)19-6-4-5-7-21(19)31-22-9-8-18(14-20(22)26(29)30)17(3)23(28)25-12-10-24(15-27)11-13-25/h4-9,14-16H,3,10-13H2,1-2H3