N,N-dimethyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]-1-pyridin-4-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: N,N-dimethyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]-1-pyridin-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: N,N-dimethyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]-1-(pyridine-4-carbonyl)piperazine-2-carboxamide CAS Name: 4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-N,N-dimethyl-1-[oxo(pyridin-4-yl)methyl]-2-piperazinecarboxamide IUPAC Name: N,N-dimethyl-4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]-1-(pyridine-4-carbonyl)piperazine-2-carboxamide Traditional Name: 1-isonicotinoyl-4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]-N,N-dimethyl-piperazine-2-carboxamide Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CN(CCN1C(=O)C2=CC=NC=C2)C(=O)C(=C)C3=CC(=C(C=C3)S)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1CN(CCN1C(=O)C2=CC=NC=C2)C(=O)C(=C)C3=CC(=C(C=C3)S)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5S/c1-14(16-4-5-19(33)17(12-16)27(31)32)20(28)25-10-11-26(18(13-25)22(30)24(2)3)21(29)15-6-8-23-9-7-15/h4-9,12,18,33H,1,10-11,13H2,2-3H3