propyl 2-[3-oxidanylidene-1-(propanoylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: propyl 2-[3-oxidanylidene-1-(propanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: propyl 2-[3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxopropylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(propionylthiocarbamoyl)piperazin-2-yl]acetic acid propyl ester Formula: C13H21N3O4S MolecularWeight: 315.38854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC

Isomeric SMILES

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC

InChI

InChI=1S/C13H21N3O4S/c1-3-7-20-11(18)8-9-12(19)14-5-6-16(9)13(21)15-10(17)4-2/h9H,3-8H2,1-2H3,(H,14,19)(H,15,17,21)