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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2,5-bis(iodanyl)benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2,5-diiodo-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2,5-diiodobenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2,5-diiodobenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2,5-diiodo-benzamide Formula: C18H16ClI2N3O2S MolecularWeight: 627.66548

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=C(C=CC(=C2)I)I

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClI2N3O2S/c1-2-3-16(25)22-11-5-6-13(19)15(9-11)23-18(27)24-17(26)12-8-10(20)4-7-14(12)21/h4-9H,2-3H2,1H3,(H,22,25)(H2,23,24,26,27)