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

Systemtic Name: 3-iodanyl-4-methoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C20H22IN3O3S MolecularWeight: 511.37645

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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(=C(C=C2)OC)I

Isomeric SMILES

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

InChI

InChI=1S/C20H22IN3O3S/c1-12(2)10-18(25)22-14-5-7-15(8-6-14)23-20(28)24-19(26)13-4-9-17(27-3)16(21)11-13/h4-9,11-12H,10H2,1-3H3,(H,22,25)(H2,23,24,26,28)