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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

InChI

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