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

Systemtic Name: 2-iodanyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-iodo-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-iodo-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-iodo-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-iodo-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]benzamide Formula: C19H20IN3O2S MolecularWeight: 481.35047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2I

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C19H20IN3O2S/c1-12(2)11-17(24)21-13-7-9-14(10-8-13)22-19(26)23-18(25)15-5-3-4-6-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,24)(H2,22,23,25,26)