3-bromanyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O3S/c1-3-24(31)29-22-16-20(11-9-17(22)2)28-26(34)30-25(32)19-10-12-23(21(27)15-19)33-14-13-18-7-5-4-6-8-18/h4-12,15-16H,3,13-14H2,1-2H3,(H,29,31)(H2,28,30,32,34)