ethyl 2-[3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(2-phenylacetyl)thiocarbamoyl]piperazin-2-yl]acetic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4S/c1-2-24-15(22)11-13-16(23)18-8-9-20(13)17(25)19-14(21)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,18,23)(H,19,21,25)