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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1C(=O)NCCN1C(=S)NCC=C

Isomeric SMILES

CC(C)COC(=O)CC1C(=O)NCCN1C(=S)NCC=C

InChI

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