decyl 2-[1-[[3-(2-ethoxyethoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[1-[[3-(2-ethoxyethoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-[[3-(2-ethoxyethoxy)benzoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[3-(2-ethoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-[[3-(2-ethoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[[3-(2-ethoxyethoxy)benzoyl]thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C28H43N3O6S MolecularWeight: 549.72252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCCOCC

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCCOCC

InChI

InChI=1S/C28H43N3O6S/c1-3-5-6-7-8-9-10-11-17-37-25(32)21-24-27(34)29-15-16-31(24)28(38)30-26(33)22-13-12-14-23(20-22)36-19-18-35-4-2/h12-14,20,24H,3-11,15-19,21H2,1-2H3,(H,29,34)(H,30,33,38)