N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-2,4-dinitro-aniline

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-2,4-dinitro-aniline Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]-2,4-dinitro-aniline CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]-2,4-dinitroaniline IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amine Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN1CCN(CC1)C(CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H21N5O4S/c1-19-6-8-20(9-7-19)16(17-3-2-10-27-17)12-18-14-5-4-13(21(23)24)11-15(14)22(25)26/h2-5,10-11,16,18H,6-9,12H2,1H3