2-methoxyethyl 2-[1-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[1-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-[(5-bromo-2-isopentyloxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-[[5-bromo-2-(3-methylbutoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(5-bromo-2-isoamoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C22H30BrN3O6S MolecularWeight: 544.4591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC

InChI

InChI=1S/C22H30BrN3O6S/c1-14(2)6-9-31-18-5-4-15(23)12-16(18)20(28)25-22(33)26-8-7-24-21(29)17(26)13-19(27)32-11-10-30-3/h4-5,12,14,17H,6-11,13H2,1-3H3,(H,24,29)(H,25,28,33)