2-phenoxyethyl 2-[3-oxidanylidene-1-(pentanoylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[3-oxidanylidene-1-(pentanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[3-oxo-1-(pentanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxopentylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[3-oxo-1-(pentanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(valerylthiocarbamoyl)piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCOC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O5S/c1-2-3-9-17(24)22-20(29)23-11-10-21-19(26)16(23)14-18(25)28-13-12-27-15-7-5-4-6-8-15/h4-8,16H,2-3,9-14H2,1H3,(H,21,26)(H,22,24,29)