N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: 2-pentoxy-N-[[3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[3-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

InChI

InChI=1S/C25H31N3O4S/c1-2-3-6-14-32-22-13-5-4-12-21(22)24(30)28-25(33)27-19-10-7-9-18(16-19)23(29)26-17-20-11-8-15-31-20/h4-5,7,9-10,12-13,16,20H,2-3,6,8,11,14-15,17H2,1H3,(H,26,29)(H2,27,28,30,33)