methyl N-cyano-N'-[(1S)-1-cyclohexylpropyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[(1S)-1-cyclohexylpropyl]carbamimidothioate Openeye Name: 1-cyano-3-[(1S)-1-cyclohexylpropyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[(1S)-1-cyclohexylpropyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[(1S)-1-cyclohexylpropyl]carbamimidothioate Traditional Name: 1-cyano-3-[(1S)-1-cyclohexylpropyl]-2-methyl-isothiourea Formula: C12H21N3S MolecularWeight: 239.38024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC1)N=C(NC#N)SC

Isomeric SMILES

CC[C@@H](C1CCCCC1)N=C(NC#N)SC

InChI

InChI=1S/C12H21N3S/c1-3-11(10-7-5-4-6-8-10)15-12(16-2)14-9-13/h10-11H,3-8H2,1-2H3,(H,14,15)/t11-/m0/s1