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

Systemtic Name: 3-butoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-4-6-12-28-18-9-7-8-16(13-18)21(27)25-22(29)23-17-11-10-15(3)19(14-17)24-20(26)5-2/h7-11,13-14H,4-6,12H2,1-3H3,(H,24,26)(H2,23,25,27,29)