3-(2-methylpropoxy)-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C22H26N4O4S/c1-4-19(27)23-17-10-8-15(9-11-17)21(29)25-26-22(31)24-20(28)16-6-5-7-18(12-16)30-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,27)(H,25,29)(H2,24,26,28,31)