N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-butoxy-benzamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-butoxy-benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-butoxy-benzamide CAS Name: 2-butoxy-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-butoxybenzamide Traditional Name: 2-butoxy-N-[(4-butyramidophenyl)thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC

InChI

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