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

Systemtic Name: 3-bromanyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O3S/c1-17(2)24(31)28-20-9-11-21(12-10-20)29-26(34)30-25(32)19-8-13-23(22(27)16-19)33-15-14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,28,31)(H2,29,30,32,34)