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

Systemtic Name: butyl 2-[3-oxidanylidene-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-(allylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(prop-2-enylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[3-oxo-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(allylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C14H23N3O3S MolecularWeight: 313.41572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O3S/c1-3-5-9-20-12(18)10-11-13(19)15-7-8-17(11)14(21)16-6-4-2/h4,11H,2-3,5-10H2,1H3,(H,15,19)(H,16,21)