N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-[4-(3-thienylmethyl)piperazin-1-yl]acetamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[4-(3-thiophenylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-[4-(3-thenyl)piperazino]acetamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H22N4O4S/c23-17-2-1-16(22(25)26)9-15(17)10-19-18(24)12-21-6-4-20(5-7-21)11-14-3-8-27-13-14/h1-3,8-9,13,23H,4-7,10-12H2,(H,19,24)