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

Systemtic Name: 3-bromanyl-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C28H29BrN4O4S MolecularWeight: 597.52326

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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(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H29BrN4O4S/c1-18(2)16-25(34)30-22-11-8-20(9-12-22)27(36)32-33-28(38)31-26(35)21-10-13-24(23(29)17-21)37-15-14-19-6-4-3-5-7-19/h3-13,17-18H,14-16H2,1-2H3,(H,30,34)(H,32,36)(H2,31,33,35,38)