N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 4-hexoxy-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC

InChI

InChI=1S/C24H31N3O3S/c1-3-5-6-7-17-30-21-15-9-18(10-16-21)23(29)27-24(31)26-20-13-11-19(12-14-20)25-22(28)8-4-2/h9-16H,3-8,17H2,1-2H3,(H,25,28)(H2,26,27,29,31)