N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-iodo-benzamide Formula: C18H17ClIN3O2S MolecularWeight: 501.76895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClIN3O2S/c1-2-5-16(24)21-11-8-9-13(19)15(10-11)22-18(26)23-17(25)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H2,22,23,25,26)