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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CS3)[N+](=O)[O-]

InChI

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