4-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[2-[2-(1,3-dithiolan-2-yl)phenoxy]-1-oxoethyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)COC2=CC=CC=C2C3SCCS3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)COC2=CC=CC=C2C3SCCS3

InChI

InChI=1S/C21H24N2O3S2/c1-22-20(25)16-9-7-15(8-10-16)13-23(2)19(24)14-26-18-6-4-3-5-17(18)21-27-11-12-28-21/h3-10,21H,11-14H2,1-2H3,(H,22,25)