decyl 2-[3-oxidanylidene-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[3-oxidanylidene-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: decyl 2-[3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(hydrocinnamoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C26H39N3O4S MolecularWeight: 489.67056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C26H39N3O4S/c1-2-3-4-5-6-7-8-12-19-33-24(31)20-22-25(32)27-17-18-29(22)26(34)28-23(30)16-15-21-13-10-9-11-14-21/h9-11,13-14,22H,2-8,12,15-20H2,1H3,(H,27,32)(H,28,30,34)