N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-iodanyl-benzamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-iodanyl-benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-iodo-benzamide CAS Name: 4-iodo-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-iodobenzamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-4-iodo-benzamide Formula: C18H18IN3O2S MolecularWeight: 467.32389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18IN3O2S/c1-2-3-16(23)20-14-8-10-15(11-9-14)21-18(25)22-17(24)12-4-6-13(19)7-5-12/h4-11H,2-3H2,1H3,(H,20,23)(H2,21,22,24,25)