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

Systemtic Name: propan-2-yl 2-[3-oxidanylidene-1-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O6S/c1-17(2)34-22(29)16-21-24(31)26-11-12-28(21)25(35)27-23(30)18-7-6-10-20(15-18)33-14-13-32-19-8-4-3-5-9-19/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,26,31)(H,27,30,35)