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

Systemtic Name: 2-methoxy-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 2-methoxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 2-methoxy-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methoxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]-2-methoxy-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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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=C2OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H24N4O4S/c1-13(2)12-18(26)22-15-10-8-14(9-11-15)19(27)24-25-21(30)23-20(28)16-6-4-5-7-17(16)29-3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,24,27)(H2,23,25,28,30)