4-heptoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC

InChI

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