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

Systemtic Name: 2-methoxyethyl 2-[1-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-[(5-bromo-2-phenethyloxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-[(5-bromo-2-phenethyloxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(5-bromo-2-phenethyloxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C25H28BrN3O6S MolecularWeight: 578.47532

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H28BrN3O6S/c1-33-13-14-35-22(30)16-20-24(32)27-10-11-29(20)25(36)28-23(31)19-15-18(26)7-8-21(19)34-12-9-17-5-3-2-4-6-17/h2-8,15,20H,9-14,16H2,1H3,(H,27,32)(H,28,31,36)