5-bromanyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H23BrN4O3S MolecularWeight: 551.45482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NNC(=O)CN3C=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NNC(=O)CN3C=CC4=CC=CC=C43

InChI

InChI=1S/C26H23BrN4O3S/c27-20-10-11-23(34-15-13-18-6-2-1-3-7-18)21(16-20)25(33)28-26(35)30-29-24(32)17-31-14-12-19-8-4-5-9-22(19)31/h1-12,14,16H,13,15,17H2,(H,29,32)(H2,28,30,33,35)