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

Systemtic Name: butyl 2-[1-[[2-(2-ethoxyethoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-[[2-(2-ethoxyethoxy)benzoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[2-(2-ethoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-[[2-(2-ethoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[[2-(2-ethoxyethoxy)benzoyl]thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OCCOCC

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OCCOCC

InChI

InChI=1S/C22H31N3O6S/c1-3-5-12-31-19(26)15-17-21(28)23-10-11-25(17)22(32)24-20(27)16-8-6-7-9-18(16)30-14-13-29-4-2/h6-9,17H,3-5,10-15H2,1-2H3,(H,23,28)(H,24,27,32)