3-nitro-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[4-(3-thienylmethyl)piperazin-1-yl]ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]benzamide Traditional Name: N-[2-keto-2-[4-(3-thenyl)piperazino]ethyl]-3-nitro-benzamide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c23-17(11-19-18(24)15-2-1-3-16(10-15)22(25)26)21-7-5-20(6-8-21)12-14-4-9-27-13-14/h1-4,9-10,13H,5-8,11-12H2,(H,19,24)