cyclohexyl 2-[3-oxidanylidene-1-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[3-oxidanylidene-1-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[3-oxo-1-[[3-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-oxo-1-[[3-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[3-(2-phenoxyethoxy)benzoyl]thiocarbamoyl]piperazin-2-yl]acetic acid cyclohexyl ester Formula: C28H33N3O6S MolecularWeight: 539.64312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O6S/c32-25(37-22-11-5-2-6-12-22)19-24-27(34)29-14-15-31(24)28(38)30-26(33)20-8-7-13-23(18-20)36-17-16-35-21-9-3-1-4-10-21/h1,3-4,7-10,13,18,22,24H,2,5-6,11-12,14-17,19H2,(H,29,34)(H,30,33,38)