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

Systemtic Name: butyl 2-[1-(octanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-(octanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxooctylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-(octanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(caprylylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C19H33N3O4S MolecularWeight: 399.54802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCCC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCCC

InChI

InChI=1S/C19H33N3O4S/c1-3-5-7-8-9-10-16(23)21-19(27)22-12-11-20-18(25)15(22)14-17(24)26-13-6-4-2/h15H,3-14H2,1-2H3,(H,20,25)(H,21,23,27)