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

Systemtic Name: 2-ethoxyethyl 2-[1-[(3-bromanyl-4-hexoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-ethoxyethyl 2-[1-[(3-bromo-4-hexoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-bromo-4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[1-[(3-bromo-4-hexoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-bromo-4-hexoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-ethoxyethyl ester Formula: C24H34BrN3O6S MolecularWeight: 572.51226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOCC)Br

InChI

InChI=1S/C24H34BrN3O6S/c1-3-5-6-7-12-33-20-9-8-17(15-18(20)25)22(30)27-24(35)28-11-10-26-23(31)19(28)16-21(29)34-14-13-32-4-2/h8-9,15,19H,3-7,10-14,16H2,1-2H3,(H,26,31)(H,27,30,35)