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

Systemtic Name: 4-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzamide Openeye Name: 4-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]butyl]amino]benzamide IUPAC Name: 4-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzamide Traditional Name: 4-[2-[[3-(valerylamino)phenyl]thio]butanoylamino]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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