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

Systemtic Name: [2-(methylamino)-5-nitro-phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [2-(methylamino)-5-nitro-phenyl]-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: [2-(methylamino)-5-nitrophenyl]-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: [2-(methylamino)-5-nitrophenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [2-(methylamino)-5-nitro-phenyl]-[4-(3-thenyl)piperazino]methanone Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C17H20N4O3S/c1-18-16-3-2-14(21(23)24)10-15(16)17(22)20-7-5-19(6-8-20)11-13-4-9-25-12-13/h2-4,9-10,12,18H,5-8,11H2,1H3