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

Systemtic Name: S-methyl N-[(1R,2R,5S)-2,5-bis(iodanyl)cyclohexyl]-N-butyl-carbamothioate Openeye Name: S-methyl N-butyl-N-[(1R,2R,5S)-2,5-diiodocyclohexyl]carbamothioate CAS Name: N-butyl-N-[(1R,2R,5S)-2,5-diiodocyclohexyl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-butyl-N-[(1R,2R,5S)-2,5-diiodocyclohexyl]carbamothioate Traditional Name: N-butyl-N-[(1R,2R,5S)-2,5-diiodocyclohexyl]thiocarbamic acid S-methyl ester Formula: C12H21I2NOS MolecularWeight: 481.17518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21I2NOS/c1-3-4-7-15(12(16)17-2)11-8-9(13)5-6-10(11)14/h9-11H,3-8H2,1-2H3/t9-,10+,11+/m0/s1