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

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Openeye Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide CAS Name: N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Traditional Name: N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]-2-(2-phenoxyethoxy)benzamide Formula: C28H30N4O5S MolecularWeight: 534.6266

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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=C2OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

InChI

InChI=1S/C28H30N4O5S/c1-19(2)18-25(33)29-21-14-12-20(13-15-21)26(34)31-32-28(38)30-27(35)23-10-6-7-11-24(23)37-17-16-36-22-8-4-3-5-9-22/h3-15,19H,16-18H2,1-2H3,(H,29,33)(H,31,34)(H2,30,32,35,38)