N-(2,5-dimethylpyrrol-1-yl)-4-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethoxy]benzamide

Systemtic Name: N-(2,5-dimethylpyrrol-1-yl)-4-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethoxy]benzamide Openeye Name: N-(2,5-dimethylpyrrol-1-yl)-4-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide CAS Name: N-(2,5-dimethyl-1-pyrrolyl)-4-[2-oxo-2-[2-(phenylthio)ethylamino]ethoxy]benzamide IUPAC Name: N-(2,5-dimethylpyrrol-1-yl)-4-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide Traditional Name: N-(2,5-dimethylpyrrol-1-yl)-4-[2-keto-2-[2-(phenylthio)ethylamino]ethoxy]benzamide Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)NCCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)NCCSC3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O3S/c1-17-8-9-18(2)26(17)25-23(28)19-10-12-20(13-11-19)29-16-22(27)24-14-15-30-21-6-4-3-5-7-21/h3-13H,14-16H2,1-2H3,(H,24,27)(H,25,28)