4-hexoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-hexoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCCC

InChI

InChI=1S/C25H33N3O3S/c1-3-5-7-8-17-31-22-15-13-19(14-16-22)24(30)28-25(32)27-21-11-9-10-20(18-21)26-23(29)12-6-4-2/h9-11,13-16,18H,3-8,12,17H2,1-2H3,(H,26,29)(H2,27,28,30,32)