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

Systemtic Name: 2-methoxyethyl 2-[1-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 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-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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-methoxyethyl ester Formula: C20H26BrN3O7S MolecularWeight: 532.40534

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC)Br

InChI

InChI=1S/C20H26BrN3O7S/c1-28-7-9-30-16-4-3-13(11-14(16)21)18(26)23-20(32)24-6-5-22-19(27)15(24)12-17(25)31-10-8-29-2/h3-4,11,15H,5-10,12H2,1-2H3,(H,22,27)(H,23,26,32)