N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-iodanyl-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-iodo-benzamide CAS Name: 3-iodo-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-iodobenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-3-iodo-benzamide Formula: C18H18IN3O2S MolecularWeight: 467.32389

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C18H18IN3O2S/c1-2-5-16(23)20-14-8-4-9-15(11-14)21-18(25)22-17(24)12-6-3-7-13(19)10-12/h3-4,6-11H,2,5H2,1H3,(H,20,23)(H2,21,22,24,25)