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

Systemtic Name: 1-ethanoyl-N,N-dimethyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxamide Openeye Name: 1-acetyl-N,N-dimethyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxamide CAS Name: 1-acetyl-4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-N,N-dimethyl-2-piperazinecarboxamide IUPAC Name: 1-acetyl-N,N-dimethyl-4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-2-carboxamide Traditional Name: 1-acetyl-4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]-N,N-dimethyl-piperazine-2-carboxamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1C(=O)N(C)C)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1C(=O)N(C)C)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-11(13-5-6-16(28)14(9-13)22(26)27)17(24)20-7-8-21(12(2)23)15(10-20)18(25)19(3)4/h5-6,9,15,28H,1,7-8,10H2,2-4H3