N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: 2-hexoxy-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC

InChI

InChI=1S/C24H31N3O3S/c1-3-5-6-9-16-30-21-15-8-7-14-20(21)23(29)27-24(31)26-19-13-10-12-18(17-19)25-22(28)11-4-2/h7-8,10,12-15,17H,3-6,9,11,16H2,1-2H3,(H,25,28)(H2,26,27,29,31)