5-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-2-furamide Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC=C(O2)Br)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC=C(O2)Br)OC

InChI

InChI=1S/C18H21BrN2O4S/c1-3-4-9-24-13-6-5-12(10-15(13)23-2)11-20-18(26)21-17(22)14-7-8-16(19)25-14/h5-8,10H,3-4,9,11H2,1-2H3,(H2,20,21,22,26)