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

Systemtic Name: oxolan-2-ylmethyl 2-[1-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 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 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 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 tetrahydrofurfuryl ester Formula: C21H26BrN3O6S MolecularWeight: 528.41664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3)Br

InChI

InChI=1S/C21H26BrN3O6S/c1-2-29-17-6-5-13(10-15(17)22)19(27)24-21(32)25-8-7-23-20(28)16(25)11-18(26)31-12-14-4-3-9-30-14/h5-6,10,14,16H,2-4,7-9,11-12H2,1H3,(H,23,28)(H,24,27,32)