N-[3-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[3-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]-4-methyl-phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylphenyl]-2-furancarboxamide IUPAC Name: N-[3-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-4-methylphenyl]furan-2-carboxamide Traditional Name: N-[3-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-4-methyl-phenyl]-2-furamide Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)C3=CC=CO3)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)C3=CC=CO3)C)Br

InChI

InChI=1S/C22H20BrN3O4S/c1-3-29-18-9-7-14(11-16(18)23)20(27)26-22(31)25-17-12-15(8-6-13(17)2)24-21(28)19-5-4-10-30-19/h4-12H,3H2,1-2H3,(H,24,28)(H2,25,26,27,31)