N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 4-propoxy-N-[[3-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 4-propoxy-N-[[3-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3

InChI

InChI=1S/C22H26N2O4S/c1-2-12-26-18-10-8-16(9-11-18)21(25)24-22(29)23-17-5-3-6-19(14-17)28-15-20-7-4-13-27-20/h3,5-6,8-11,14,20H,2,4,7,12-13,15H2,1H3,(H2,23,24,25,29)