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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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