[2-(dimethylamino)-5-nitro-phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(3-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=CSC=C3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC=C3

InChI

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