S-methyl N-[(1R,2R,5S)-2,5-bis(iodanyl)cyclohexyl]-N-ethyl-carbamothioate

Systemtic Name: S-methyl N-[(1R,2R,5S)-2,5-bis(iodanyl)cyclohexyl]-N-ethyl-carbamothioate Openeye Name: S-methyl N-[(1R,2R,5S)-2,5-diiodocyclohexyl]-N-ethyl-carbamothioate CAS Name: N-[(1R,2R,5S)-2,5-diiodocyclohexyl]-N-ethylcarbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[(1R,2R,5S)-2,5-diiodocyclohexyl]-N-ethylcarbamothioate Traditional Name: N-[(1R,2R,5S)-2,5-diiodocyclohexyl]-N-ethyl-thiocarbamic acid S-methyl ester Formula: C10H17I2NOS MolecularWeight: 453.12202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CC(CCC1I)I)C(=O)SC

Isomeric SMILES

CCN([C@@H]1C[C@H](CC[C@H]1I)I)C(=O)SC

InChI

InChI=1S/C10H17I2NOS/c1-3-13(10(14)15-2)9-6-7(11)4-5-8(9)12/h7-9H,3-6H2,1-2H3/t7-,8+,9+/m0/s1