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

Systemtic Name: 2-ethoxyethyl 2-[1-(2,2-diphenylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-ethoxyethyl 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-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 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-ethoxyethyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5S/c1-2-32-15-16-33-21(29)17-20-23(30)26-13-14-28(20)25(34)27-24(31)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,22H,2,13-17H2,1H3,(H,26,30)(H,27,31,34)