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

Systemtic Name: N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: 2-pentoxy-N-[[4-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-(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=C(C=C2)C(=O)NCC3CCCO3

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/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/h4-5,9-14,20H,2-3,6-8,15-17H2,1H3,(H,26,29)(H2,27,28,30,33)