N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-ethoxy-benzamide CAS Name: 3-ethoxy-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-3-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=C2)OCC

Isomeric SMILES

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

InChI

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