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

Systemtic Name: 3-butoxy-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C24H25N3O4S/c1-2-3-13-30-20-7-4-6-18(15-20)23(29)27-24(32)26-19-11-9-17(10-12-19)22(28)25-16-21-8-5-14-31-21/h4-12,14-15H,2-3,13,16H2,1H3,(H,25,28)(H2,26,27,29,32)