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

Systemtic Name: 2-phenoxyethyl 2-[1-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C24H26BrN3O6S MolecularWeight: 564.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3)Br

InChI

InChI=1S/C24H26BrN3O6S/c1-2-32-20-9-8-16(14-18(20)25)22(30)27-24(35)28-11-10-26-23(31)19(28)15-21(29)34-13-12-33-17-6-4-3-5-7-17/h3-9,14,19H,2,10-13,15H2,1H3,(H,26,31)(H,27,30,35)