4-[[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-ethyl-amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-ethyl-amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl-ethyl-amino]methyl]-3-nitro-benzamide CAS Name: 4-[[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-ethylamino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-ethylamino]methyl]-3-nitrobenzamide Traditional Name: 4-[[[3-ethoxy-4-(2-thenyloxy)benzyl]-ethyl-amino]methyl]-3-nitro-benzamide Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC2=CC=CS2)OCC)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC2=CC=CS2)OCC)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O5S/c1-3-26(15-19-9-8-18(24(25)28)13-21(19)27(29)30)14-17-7-10-22(23(12-17)31-4-2)32-16-20-6-5-11-33-20/h5-13H,3-4,14-16H2,1-2H3,(H2,25,28)