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

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: 3-isopentyloxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-(3-methylbutoxy)-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: 3-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(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

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