1-[3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]ethanone Openeye Name: 1-[3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[4-(2-thenoyl)piperazino]phenyl]ethanone Formula: C17H17N3O4S MolecularWeight: 359.39958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-12(21)13-4-5-14(15(11-13)20(23)24)18-6-8-19(9-7-18)17(22)16-3-2-10-25-16/h2-5,10-11H,6-9H2,1H3