2-phenoxyethyl 2-[1-[(2-methoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[1-[(2-methoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[1-[(2-methoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[1-[(2-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(o-anisoylthiocarbamoyl)piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O6S/c1-30-19-10-6-5-9-17(19)21(28)25-23(33)26-12-11-24-22(29)18(26)15-20(27)32-14-13-31-16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3,(H,24,29)(H,25,28,33)