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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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