cyclohexyl 2-[3-oxidanylidene-1-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[3-oxidanylidene-1-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[3-oxo-1-[[4-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-oxo-1-[[4-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[4-(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=C(C=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

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

InChI

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