3-ethoxy-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-ethoxy-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H21N3O4S/c1-2-28-18-6-3-5-16(13-18)21(27)25-22(30)24-17-10-8-15(9-11-17)20(26)23-14-19-7-4-12-29-19/h3-13H,2,14H2,1H3,(H,23,26)(H2,24,25,27,30)