[1-(methylcarbamothioyl)-2-oxidanylidene-azepan-3-yl]carbamic acid

Systemtic Name: [1-(methylcarbamothioyl)-2-oxidanylidene-azepan-3-yl]carbamic acid Openeye Name: [1-(methylcarbamothioyl)-2-oxo-azepan-3-yl]carbamic acid CAS Name: [1-[methylamino(sulfanylidene)methyl]-2-oxo-3-azepanyl]carbamic acid IUPAC Name: [1-(methylcarbamothioyl)-2-oxoazepan-3-yl]carbamic acid Traditional Name: [2-keto-1-(methylthiocarbamoyl)azepan-3-yl]carbamic acid Formula: C9H15N3O3S MolecularWeight: 245.2987

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCCC(C1=O)NC(=O)O

Isomeric SMILES

CNC(=S)N1CCCCC(C1=O)NC(=O)O

InChI

InChI=1S/C9H15N3O3S/c1-10-8(16)12-5-3-2-4-6(7(12)13)11-9(14)15/h6,11H,2-5H2,1H3,(H,10,16)(H,14,15)