methyl 4-[(E)-3-[3-nitro-4-(4-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-2-carboxylate

Systemtic Name: methyl 4-[(E)-3-[3-nitro-4-(4-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-2-carboxylate Openeye Name: methyl 4-[(E)-3-[4-(4-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazine-2-carboxylate CAS Name: 4-[(E)-3-[3-nitro-4-[(4-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[3-nitro-4-(4-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-2-carboxylate Traditional Name: 4-[(E)-3-[3-nitro-4-(p-cumenylthio)phenyl]acryloyl]piperazine-2-carboxylic acid methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2=C(C=C(C=C2)C=CC(=O)N3CCNC(C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C/C(=O)N3CCNC(C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O5S/c1-16(2)18-6-8-19(9-7-18)33-22-10-4-17(14-21(22)27(30)31)5-11-23(28)26-13-12-25-20(15-26)24(29)32-3/h4-11,14,16,20,25H,12-13,15H2,1-3H3/b11-5+