[2-(dimethylamino)-5-nitro-phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone CAS Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(2-thenyl)piperazino]methanone Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C18H22N4O3S/c1-19(2)17-6-5-14(22(24)25)12-16(17)18(23)21-9-7-20(8-10-21)13-15-4-3-11-26-15/h3-6,11-12H,7-10,13H2,1-2H3