butyl 2-[(2S)-1-(furan-2-ylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[(2S)-1-(furan-2-ylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-(furan-2-carbonylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-(furan-2-carbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(2-furoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CO2

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C2=CC=CO2

InChI

InChI=1S/C16H21N3O5S/c1-2-3-8-24-13(20)10-11-14(21)17-6-7-19(11)16(25)18-15(22)12-5-4-9-23-12/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,17,21)(H,18,22,25)/t11-/m0/s1