N-[(2-chloranyl-4-iodanyl-phenyl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(2-chloranyl-4-iodanyl-phenyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(2-chloro-4-iodo-phenyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[(2-chloro-4-iodoanilino)-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(2-chloro-4-iodophenyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(2-chloro-4-iodo-phenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C12H14ClIN2OS MolecularWeight: 396.67483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClIN2OS/c1-7(2)5-11(17)16-12(18)15-10-4-3-8(14)6-9(10)13/h3-4,6-7H,5H2,1-2H3,(H2,15,16,17,18)