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

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(2-methyl-3-nitro-anilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(2-methyl-3-nitroanilino)-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-methyl-3-nitroanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-methyl-3-nitro-anilino)-1-[4-(2-thenoyl)piperazino]ethanone Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-13-14(4-2-5-15(13)22(25)26)19-12-17(23)20-7-9-21(10-8-20)18(24)16-6-3-11-27-16/h2-6,11,19H,7-10,12H2,1H3