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

Systemtic Name: 3-methylbutyl 2-[1-(octanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(octanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxooctylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(octanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(caprylylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C20H35N3O4S MolecularWeight: 413.5746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O4S/c1-4-5-6-7-8-9-17(24)22-20(28)23-12-11-21-19(26)16(23)14-18(25)27-13-10-15(2)3/h15-16H,4-14H2,1-3H3,(H,21,26)(H,22,24,28)