methyl N-methyl-N-[[(1S,2S)-2-oxidanylcyclohexyl]methyl]-N'-phenyl-carbamimidothioate

Systemtic Name: methyl N-methyl-N-[[(1S,2S)-2-oxidanylcyclohexyl]methyl]-N'-phenyl-carbamimidothioate Openeye Name: 1-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-1,2-dimethyl-3-phenyl-isothiourea CAS Name: N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-N-methyl-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-1,2-dimethyl-3-phenyl-isothiourea Formula: C16H24N2OS MolecularWeight: 292.43956

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCCCC1O)C(=NC2=CC=CC=C2)SC

Isomeric SMILES

CN(C[C@@H]1CCCC[C@@H]1O)C(=NC2=CC=CC=C2)SC

InChI

InChI=1S/C16H24N2OS/c1-18(12-13-8-6-7-11-15(13)19)16(20-2)17-14-9-4-3-5-10-14/h3-5,9-10,13,15,19H,6-8,11-12H2,1-2H3/t13-,15-/m0/s1