4-(1,3-dithiolan-2-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[3-(isobutyrylamino)benzyl]benzamide Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C21H24N2O2S2/c1-14(2)19(24)23-18-5-3-4-15(12-18)13-22-20(25)16-6-8-17(9-7-16)21-26-10-11-27-21/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)