3-butoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC

InChI

InChI=1S/C21H25N3O3S/c1-3-5-12-27-18-11-6-8-15(13-18)20(26)24-21(28)23-17-10-7-9-16(14-17)22-19(25)4-2/h6-11,13-14H,3-5,12H2,1-2H3,(H,22,25)(H2,23,24,26,28)