N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-propoxy-benzamide CAS Name: N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCC

InChI

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