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

Systemtic Name: methyl N-methyl-N-[[(1S,2S)-2-oxidanylcyclopentyl]methyl]-N'-phenyl-carbamimidothioate Openeye Name: 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1,2-dimethyl-3-phenyl-isothiourea CAS Name: N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-N-methyl-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1,2-dimethyl-3-phenyl-isothiourea Formula: C15H22N2OS MolecularWeight: 278.41298

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCCC1O)C(=NC2=CC=CC=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2OS/c1-17(11-12-7-6-10-14(12)18)15(19-2)16-13-8-4-3-5-9-13/h3-5,8-9,12,14,18H,6-7,10-11H2,1-2H3/t12-,14-/m0/s1