2-phenoxyethyl 2-[1-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[1-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[1-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[3-bromo-4-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[1-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[[3-bromo-4-(2-methoxyethoxy)benzoyl]thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C25H28BrN3O7S MolecularWeight: 594.47472

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3)Br

InChI

InChI=1S/C25H28BrN3O7S/c1-33-11-12-35-21-8-7-17(15-19(21)26)23(31)28-25(37)29-10-9-27-24(32)20(29)16-22(30)36-14-13-34-18-5-3-2-4-6-18/h2-8,15,20H,9-14,16H2,1H3,(H,27,32)(H,28,31,37)