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

Systemtic Name: N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H27N3O4S MolecularWeight: 465.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C25H27N3O4S/c1-2-3-6-15-32-22-10-5-4-9-21(22)24(30)28-25(33)27-19-13-11-18(12-14-19)23(29)26-17-20-8-7-16-31-20/h4-5,7-14,16H,2-3,6,15,17H2,1H3,(H,26,29)(H2,27,28,30,33)