1-[4-[4-(5-methyl-4-nitro-thiophen-2-yl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(5-methyl-4-nitro-thiophen-2-yl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(5-methyl-4-nitro-thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(5-methyl-4-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(5-methyl-4-nitrothiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(5-methyl-4-nitro-thiophene-2-carbonyl)piperazino]phenyl]ethanone Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-12(22)14-3-5-15(6-4-14)19-7-9-20(10-8-19)18(23)17-11-16(21(24)25)13(2)26-17/h3-6,11H,7-10H2,1-2H3