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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-butoxy-benzamide CAS Name: 3-butoxy-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-butoxybenzamide Traditional Name: 3-butoxy-N-[(3-butyramidophenyl)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=CC(=C2)NC(=O)CCC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-3-5-13-28-19-12-6-9-16(14-19)21(27)25-22(29)24-18-11-7-10-17(15-18)23-20(26)8-4-2/h6-7,9-12,14-15H,3-5,8,13H2,1-2H3,(H,23,26)(H2,24,25,27,29)