4-[[(5-methylthiophen-2-yl)methyl-phenethyl-amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[(5-methylthiophen-2-yl)methyl-phenethyl-amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[(5-methyl-2-thienyl)methyl-phenethyl-amino]methyl]-3-nitro-benzamide CAS Name: 4-[[(5-methyl-2-thiophenyl)methyl-phenethylamino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(5-methylthiophen-2-yl)methyl-phenethylamino]methyl]-3-nitrobenzamide Traditional Name: 4-[[(5-methyl-2-thienyl)methyl-phenethyl-amino]methyl]-3-nitro-benzamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O3S/c1-16-7-10-20(29-16)15-24(12-11-17-5-3-2-4-6-17)14-19-9-8-18(22(23)26)13-21(19)25(27)28/h2-10,13H,11-12,14-15H2,1H3,(H2,23,26)