N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-2-propoxy-benzamide CAS Name: N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C23H28N4O4S/c1-4-13-31-19-8-6-5-7-18(19)22(30)25-23(32)27-26-21(29)16-9-11-17(12-10-16)24-20(28)14-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,32)