N-methyl-4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carboxamide

Systemtic Name: N-methyl-4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carboxamide Openeye Name: 4-[(E)-3-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]-N-methyl-piperazine-1-carboxamide CAS Name: N-methyl-4-[(E)-3-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-1-piperazinecarboxamide IUPAC Name: N-methyl-4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-1-carboxamide Traditional Name: N-methyl-4-[(E)-3-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-1-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-17(2)19-6-4-5-7-21(19)33-22-10-8-18(16-20(22)28(31)32)9-11-23(29)26-12-14-27(15-13-26)24(30)25-3/h4-11,16-17H,12-15H2,1-3H3,(H,25,30)/b11-9+