2,4-dimethoxy-N-[[3-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,4-dimethoxy-N-[[3-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2,4-dimethoxy-N-[[3-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2,4-dimethoxy-N-[[3-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dimethoxy-N-[[3-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-(isovalerylamino)phenyl]thiocarbamoyl]-2,4-dimethoxy-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C21H25N3O4S/c1-13(2)10-19(25)22-14-6-5-7-15(11-14)23-21(29)24-20(26)17-9-8-16(27-3)12-18(17)28-4/h5-9,11-13H,10H2,1-4H3,(H,22,25)(H2,23,24,26,29)