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

Systemtic Name: butyl 2-[1-[(3-bromanyl-4-hexoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C24H34BrN3O5S MolecularWeight: 556.51286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34BrN3O5S/c1-3-5-7-8-14-32-20-10-9-17(15-18(20)25)22(30)27-24(34)28-12-11-26-23(31)19(28)16-21(29)33-13-6-4-2/h9-10,15,19H,3-8,11-14,16H2,1-2H3,(H,26,31)(H,27,30,34)