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

Systemtic Name: 4-butoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C23H29N3O3S/c1-3-5-10-21(27)24-18-8-7-9-19(16-18)25-23(30)26-22(28)17-11-13-20(14-12-17)29-15-6-4-2/h7-9,11-14,16H,3-6,10,15H2,1-2H3,(H,24,27)(H2,25,26,28,30)