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

Systemtic Name: 2-ethoxyethyl 2-[1-[(3-bromanyl-4-methyl-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-ethoxyethyl 2-[1-[(3-bromo-4-methyl-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-bromo-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-bromo-4-methyl-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-ethoxyethyl ester Formula: C19H24BrN3O5S MolecularWeight: 486.37996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O5S/c1-3-27-8-9-28-16(24)11-15-18(26)21-6-7-23(15)19(29)22-17(25)13-5-4-12(2)14(20)10-13/h4-5,10,15H,3,6-9,11H2,1-2H3,(H,21,26)(H,22,25,29)