N-[3-[(5-bromanyl-2-propoxy-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(5-bromanyl-2-propoxy-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[(5-bromo-2-propoxy-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(5-bromo-2-propoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[(5-bromo-2-propoxybenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[(5-bromo-2-propoxy-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H20BrN3O4S/c1-2-10-29-18-9-8-14(23)12-17(18)20(27)26-22(31)25-16-6-3-5-15(13-16)24-21(28)19-7-4-11-30-19/h3-9,11-13H,2,10H2,1H3,(H,24,28)(H2,25,26,27,31)