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

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4S/c1-15(2)12-21(29)25-19-10-8-17(9-11-19)23(31)27-28-24(33)26-22(30)18-6-5-7-20(13-18)32-14-16(3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,25,29)(H,27,31)(H2,26,28,30,33)