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

Systemtic Name: 3-butoxy-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-3-5-13-30-18-8-6-7-16(14-18)20(28)24-22(31)26-25-21(29)15-9-11-17(12-10-15)23-19(27)4-2/h6-12,14H,3-5,13H2,1-2H3,(H,23,27)(H,25,29)(H2,24,26,28,31)