pentyl 2-[3-oxidanylidene-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[3-oxidanylidene-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(allylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(prop-2-enylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[3-oxo-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(allylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C15H25N3O3S MolecularWeight: 327.4423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=S)NCC=C

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=S)NCC=C

InChI

InChI=1S/C15H25N3O3S/c1-3-5-6-10-21-13(19)11-12-14(20)16-8-9-18(12)15(22)17-7-4-2/h4,12H,2-3,5-11H2,1H3,(H,16,20)(H,17,22)