3-methyl-N-[2,2,2-tris(chloranyl)-1-[(4-iodophenyl)carbamothioylamino]ethyl]butanamide

Systemtic Name: 3-methyl-N-[2,2,2-tris(chloranyl)-1-[(4-iodophenyl)carbamothioylamino]ethyl]butanamide Openeye Name: 3-methyl-N-[2,2,2-trichloro-1-[(4-iodophenyl)carbamothioylamino]ethyl]butanamide CAS Name: 3-methyl-N-[2,2,2-trichloro-1-[[(4-iodoanilino)-sulfanylidenemethyl]amino]ethyl]butanamide IUPAC Name: 3-methyl-N-[2,2,2-trichloro-1-[(4-iodophenyl)carbamothioylamino]ethyl]butanamide Traditional Name: 3-methyl-N-[2,2,2-trichloro-1-[(4-iodophenyl)thiocarbamoylamino]ethyl]butyramide Formula: C14H17Cl3IN3OS MolecularWeight: 508.63275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Cl3IN3OS/c1-8(2)7-11(22)20-12(14(15,16)17)21-13(23)19-10-5-3-9(18)4-6-10/h3-6,8,12H,7H2,1-2H3,(H,20,22)(H2,19,21,23)