3-bromanyl-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C27H27BrN4O4S MolecularWeight: 583.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=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)C(=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/C27H27BrN4O4S/c1-17(2)24(33)29-21-11-8-19(9-12-21)26(35)31-32-27(37)30-25(34)20-10-13-23(22(28)16-20)36-15-14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,29,33)(H,31,35)(H2,30,32,34,37)