N-[[3-(pentanoylamino)phenyl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: 3-propoxy-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC

InChI

InChI=1S/C22H27N3O3S/c1-3-5-12-20(26)23-17-9-7-10-18(15-17)24-22(29)25-21(27)16-8-6-11-19(14-16)28-13-4-2/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,26)(H2,24,25,27,29)