4-butoxy-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C23H28N4O4S/c1-4-5-14-31-19-12-8-16(9-13-19)21(29)25-23(32)27-26-22(30)17-6-10-18(11-7-17)24-20(28)15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,24,28)(H,26,30)(H2,25,27,29,32)