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

Systemtic Name: 2-ethoxyethyl 2-[3-oxidanylidene-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: 2-ethoxyethyl 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 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(hydrocinnamoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid 2-ethoxyethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-2-27-12-13-28-18(25)14-16-19(26)21-10-11-23(16)20(29)22-17(24)9-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,21,26)(H,22,24,29)