4-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]propyl]amino]benzamide IUPAC Name: 4-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[[3-(valerylamino)phenyl]thio]propanoylamino]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C21H25N3O3S/c1-3-4-8-19(25)23-17-6-5-7-18(13-17)28-14(2)21(27)24-16-11-9-15(10-12-16)20(22)26/h5-7,9-14H,3-4,8H2,1-2H3,(H2,22,26)(H,23,25)(H,24,27)