N-[4-methoxy-3-(2-phenylethanoylcarbamothioylamino)phenyl]furan-2-carboxamide

Systemtic Name: N-[4-methoxy-3-(2-phenylethanoylcarbamothioylamino)phenyl]furan-2-carboxamide Openeye Name: N-[4-methoxy-3-[(2-phenylacetyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-methoxy-3-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-methoxy-3-[(2-phenylacetyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-methoxy-3-[(2-phenylacetyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4S/c1-27-17-10-9-15(22-20(26)18-8-5-11-28-18)13-16(17)23-21(29)24-19(25)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,22,26)(H2,23,24,25,29)