2-methoxyethyl 2-[1-(2,2-diphenylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[1-(2,2-diphenylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-[(2,2-diphenylacetyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-[(2,2-diphenylacetyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(2,2-diphenylacetyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O5S/c1-31-14-15-32-20(28)16-19-22(29)25-12-13-27(19)24(33)26-23(30)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19,21H,12-16H2,1H3,(H,25,29)(H,26,30,33)