6-bromanyl-N-[[(4-butoxyphenyl)carbonylamino]carbamothioyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-[[(4-butoxyphenyl)carbonylamino]carbamothioyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: 6-bromo-N-[[(4-butoxybenzoyl)amino]carbamothioyl]-2-oxo-chromene-3-carboxamide CAS Name: 6-bromo-N-[[[(4-butoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-[[(4-butoxybenzoyl)amino]carbamothioyl]-2-oxochromene-3-carboxamide Traditional Name: 6-bromo-N-[[(4-butoxybenzoyl)amino]thiocarbamoyl]-2-keto-chromene-3-carboxamide Formula: C22H20BrN3O5S MolecularWeight: 518.3803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C22H20BrN3O5S/c1-2-3-10-30-16-7-4-13(5-8-16)19(27)25-26-22(32)24-20(28)17-12-14-11-15(23)6-9-18(14)31-21(17)29/h4-9,11-12H,2-3,10H2,1H3,(H,25,27)(H2,24,26,28,32)