3-bromanyl-4-phenethyloxy-N-(pyridin-2-ylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-phenethyloxy-N-(pyridin-2-ylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-(2-pyridylcarbamothioyl)benzamide CAS Name: 3-bromo-4-phenethyloxy-N-[(2-pyridinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-phenethyloxy-N-(pyridin-2-ylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-phenethyloxy-N-(2-pyridylthiocarbamoyl)benzamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=N3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=N3)Br

InChI

InChI=1S/C21H18BrN3O2S/c22-17-14-16(20(26)25-21(28)24-19-8-4-5-12-23-19)9-10-18(17)27-13-11-15-6-2-1-3-7-15/h1-10,12,14H,11,13H2,(H2,23,24,25,26,28)