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

Systemtic Name: 3-methylbutyl 2-[1-(hexanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(hexanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxohexylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(hexanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(caproylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C18H31N3O4S MolecularWeight: 385.52144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O4S/c1-4-5-6-7-15(22)20-18(26)21-10-9-19-17(24)14(21)12-16(23)25-11-8-13(2)3/h13-14H,4-12H2,1-3H3,(H,19,24)(H,20,22,26)