methyl N-cyano-N'-[(3S)-2-oxidanylideneazepan-3-yl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[(3S)-2-oxidanylideneazepan-3-yl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[(3S)-2-oxoazepan-3-yl]isothiourea CAS Name: N-cyano-N'-[(3S)-2-oxo-3-azepanyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[(3S)-2-oxoazepan-3-yl]carbamimidothioate Traditional Name: 1-cyano-3-[(3S)-2-ketoazepan-3-yl]-2-methyl-isothiourea Formula: C9H14N4OS MolecularWeight: 226.29866

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1CCCCNC1=O)NC#N

Isomeric SMILES

CSC(=N[C@H]1CCCCNC1=O)NC#N

InChI

InChI=1S/C9H14N4OS/c1-15-9(12-6-10)13-7-4-2-3-5-11-8(7)14/h7H,2-5H2,1H3,(H,11,14)(H,12,13)/t7-/m0/s1