5-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-2-furamide Formula: C19H22BrN3O4S MolecularWeight: 468.36468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C19H22BrN3O4S/c1-2-3-4-5-12-26-14-8-6-13(7-9-14)17(24)22-23-19(28)21-18(25)15-10-11-16(20)27-15/h6-11H,2-5,12H2,1H3,(H,22,24)(H2,21,23,25,28)