1-[4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amino]-3-nitro-phenyl]ethanone Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC(C2=CC=CS2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCC(C2=CC=CS2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O3S/c1-14(24)15-5-6-16(17(12-15)23(25)26)20-13-18(19-4-3-11-27-19)22-9-7-21(2)8-10-22/h3-6,11-12,18,20H,7-10,13H2,1-2H3