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

Systemtic Name: N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[3-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[3-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[3-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C26H29N3O4S/c1-2-3-4-7-15-33-23-14-6-5-13-22(23)25(31)29-26(34)28-20-11-8-10-19(17-20)24(30)27-18-21-12-9-16-32-21/h5-6,8-14,16-17H,2-4,7,15,18H2,1H3,(H,27,30)(H2,28,29,31,34)