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

Systemtic Name: 2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[4-[(2-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-(2-methyl-3-nitrobenzoyl)piperazin-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-(2-methyl-3-nitro-benzoyl)piperazino]-1-(2-thienyl)ethanone Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC(=O)C3=CC=CS3

InChI

InChI=1S/C18H19N3O4S/c1-13-14(4-2-5-15(13)21(24)25)18(23)20-9-7-19(8-10-20)12-16(22)17-6-3-11-26-17/h2-6,11H,7-10,12H2,1H3