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

Systemtic Name: ethyl 2-[1-[[5-bromanyl-2-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-[[5-bromo-2-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[5-bromo-2-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[[5-bromo-2-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[[5-bromo-2-(2-methoxyethoxy)benzoyl]thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C19H24BrN3O6S MolecularWeight: 502.37936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

InChI

InChI=1S/C19H24BrN3O6S/c1-3-28-16(24)11-14-18(26)21-6-7-23(14)19(30)22-17(25)13-10-12(20)4-5-15(13)29-9-8-27-2/h4-5,10,14H,3,6-9,11H2,1-2H3,(H,21,26)(H,22,25,30)