methyl 2-(dimethylcarbamoyl)-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: methyl 2-(dimethylcarbamoyl)-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: methyl 2-(dimethylcarbamoyl)-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 2-[dimethylamino(oxo)methyl]-4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 2-(dimethylcarbamoyl)-4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 2-(dimethylcarbamoyl)-4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperazine-1-carboxylic acid methyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6S/c1-11(12-5-6-15(29)13(9-12)22(26)27)16(23)20-7-8-21(18(25)28-4)14(10-20)17(24)19(2)3/h5-6,9,14,29H,1,7-8,10H2,2-4H3