N-(2-ethyl-3-oxidanylidene-piperazin-1-yl)carbothioyl-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-(2-ethyl-3-oxidanylidene-piperazin-1-yl)carbothioyl-3-iodanyl-4-methyl-benzamide Openeye Name: N-(2-ethyl-3-oxo-piperazine-1-carbothioyl)-3-iodo-4-methyl-benzamide CAS Name: N-[(2-ethyl-3-oxo-1-piperazinyl)-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-(2-ethyl-3-oxopiperazine-1-carbothioyl)-3-iodo-4-methylbenzamide Traditional Name: N-(2-ethyl-3-keto-piperazine-1-carbothioyl)-3-iodo-4-methyl-benzamide Formula: C15H18IN3O2S MolecularWeight: 431.29179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C=C2)C)I

Isomeric SMILES

CCC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C=C2)C)I

InChI

InChI=1S/C15H18IN3O2S/c1-3-12-14(21)17-6-7-19(12)15(22)18-13(20)10-5-4-9(2)11(16)8-10/h4-5,8,12H,3,6-7H2,1-2H3,(H,17,21)(H,18,20,22)