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

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(propanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxopropylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(propionylthiocarbamoyl)piperazin-2-yl]acetic acid isoamyl ester Formula: C15H25N3O4S MolecularWeight: 343.4417

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC(C)C

Isomeric SMILES

CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC(C)C

InChI

InChI=1S/C15H25N3O4S/c1-4-12(19)17-15(23)18-7-6-16-14(21)11(18)9-13(20)22-8-5-10(2)3/h10-11H,4-9H2,1-3H3,(H,16,21)(H,17,19,23)