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

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-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-methyl-2-nitro-phenyl)oxamide CAS Name: N-(4-methyl-2-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-methyl-2-nitrophenyl)oxamide Traditional Name: N'-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-N-(4-methyl-2-nitro-phenyl)oxamide Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O4S/c1-19-10-11-22(23(17-19)32(35)36)29-27(34)26(33)28-20(2)25(24-9-6-16-37-24)31-14-12-30(13-15-31)18-21-7-4-3-5-8-21/h3-11,16-17,20,25H,12-15,18H2,1-2H3,(H,28,33)(H,29,34)