N-[2-oxidanylidene-1-(propan-2-ylcarbamothioyl)azepan-3-yl]methanamide

Systemtic Name: N-[2-oxidanylidene-1-(propan-2-ylcarbamothioyl)azepan-3-yl]methanamide Openeye Name: N-[1-(isopropylcarbamothioyl)-2-oxo-azepan-3-yl]formamide CAS Name: N-[2-oxo-1-[(propan-2-ylamino)-sulfanylidenemethyl]-3-azepanyl]formamide IUPAC Name: N-[2-oxo-1-(propan-2-ylcarbamothioyl)azepan-3-yl]formamide Traditional Name: N-[1-(isopropylthiocarbamoyl)-2-keto-azepan-3-yl]formamide Formula: C11H19N3O2S MolecularWeight: 257.35246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N3O2S/c1-8(2)13-11(17)14-6-4-3-5-9(10(14)16)12-7-15/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,17)