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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-ethoxy-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-ethoxy-benzamide CAS Name: 2-ethoxy-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-ethoxybenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-2-ethoxy-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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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=C2OCC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCC

InChI

InChI=1S/C21H24N4O4S/c1-3-7-18(26)22-15-12-10-14(11-13-15)19(27)24-25-21(30)23-20(28)16-8-5-6-9-17(16)29-4-2/h5-6,8-13H,3-4,7H2,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28,30)