dodecyl 2-[1-[[2-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-[[2-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[[2-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[2-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[[2-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[2-(2-methoxyethoxy)benzoyl]thiocarbamoyl]piperazin-2-yl]acetic acid lauryl ester Formula: C29H45N3O6S MolecularWeight: 563.7491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OCCOC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OCCOC

InChI

InChI=1S/C29H45N3O6S/c1-3-4-5-6-7-8-9-10-11-14-19-38-26(33)22-24-28(35)30-17-18-32(24)29(39)31-27(34)23-15-12-13-16-25(23)37-21-20-36-2/h12-13,15-16,24H,3-11,14,17-22H2,1-2H3,(H,30,35)(H,31,34,39)