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

Systemtic Name: [2-oxidanylidene-1-(propan-2-ylcarbamothioyl)azepan-3-yl]carbamic acid Openeye Name: [1-(isopropylcarbamothioyl)-2-oxo-azepan-3-yl]carbamic acid CAS Name: [2-oxo-1-[(propan-2-ylamino)-sulfanylidenemethyl]-3-azepanyl]carbamic acid IUPAC Name: [2-oxo-1-(propan-2-ylcarbamothioyl)azepan-3-yl]carbamic acid Traditional Name: [1-(isopropylthiocarbamoyl)-2-keto-azepan-3-yl]carbamic acid Formula: C11H19N3O3S MolecularWeight: 273.35186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CCCCC(C1=O)NC(=O)O

Isomeric SMILES

CC(C)NC(=S)N1CCCCC(C1=O)NC(=O)O

InChI

InChI=1S/C11H19N3O3S/c1-7(2)12-10(18)14-6-4-3-5-8(9(14)15)13-11(16)17/h7-8,13H,3-6H2,1-2H3,(H,12,18)(H,16,17)