4-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[(2-methoxyphenyl)methyl-(2-thienylmethyl)amino]methyl]-3-nitro-benzamide CAS Name: 4-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-3-nitrobenzamide Traditional Name: 3-nitro-4-[[o-anisyl(2-thenyl)amino]methyl]benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1CN(CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C21H21N3O4S/c1-28-20-7-3-2-5-17(20)13-23(14-18-6-4-10-29-18)12-16-9-8-15(21(22)25)11-19(16)24(26)27/h2-11H,12-14H2,1H3,(H2,22,25)