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

Systemtic Name: butyl 2-[1-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-[(3-bromo-4-ethoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-[(3-bromo-4-ethoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C20H26BrN3O5S MolecularWeight: 500.40654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br

InChI

InChI=1S/C20H26BrN3O5S/c1-3-5-10-29-17(25)12-15-19(27)22-8-9-24(15)20(30)23-18(26)13-6-7-16(28-4-2)14(21)11-13/h6-7,11,15H,3-5,8-10,12H2,1-2H3,(H,22,27)(H,23,26,30)