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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-methoxy-benzamide CAS Name: 2-methoxy-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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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=C2OC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C20H22N4O4S/c1-3-6-17(25)21-14-11-9-13(10-12-14)18(26)23-24-20(29)22-19(27)15-7-4-5-8-16(15)28-2/h4-5,7-12H,3,6H2,1-2H3,(H,21,25)(H,23,26)(H2,22,24,27,29)