N-(4-nitrophenyl)-N'-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]ethanediamide

Systemtic Name: N-(4-nitrophenyl)-N'-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]ethanediamide Openeye Name: N'-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-N-(4-nitrophenyl)oxamide CAS Name: N-(4-nitrophenyl)-N'-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]oxamide IUPAC Name: N'-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-(4-nitrophenyl)oxamide Traditional Name: N'-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-N-(4-nitrophenyl)oxamide Formula: C26H29N5O4S MolecularWeight: 507.60456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O4S/c1-19(27-25(32)26(33)28-21-9-11-22(12-10-21)31(34)35)24(23-8-5-17-36-23)30-15-13-29(14-16-30)18-20-6-3-2-4-7-20/h2-12,17,19,24H,13-16,18H2,1H3,(H,27,32)(H,28,33)