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

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 2-isopentyloxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 2-isoamoxy-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C25H32N4O4S/c1-16(2)13-14-33-21-8-6-5-7-20(21)24(32)27-25(34)29-28-23(31)18-9-11-19(12-10-18)26-22(30)15-17(3)4/h5-12,16-17H,13-15H2,1-4H3,(H,26,30)(H,28,31)(H2,27,29,32,34)