3-bromanyl-4-phenethyloxy-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-phenethyloxy-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-4-phenethyloxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-N-(isonicotinamidothiocarbamoyl)-4-phenethyloxy-benzamide Formula: C22H19BrN4O3S MolecularWeight: 499.38026

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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)NNC(=O)C3=CC=NC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NNC(=O)C3=CC=NC=C3)Br

InChI

InChI=1S/C22H19BrN4O3S/c23-18-14-17(6-7-19(18)30-13-10-15-4-2-1-3-5-15)20(28)25-22(31)27-26-21(29)16-8-11-24-12-9-16/h1-9,11-12,14H,10,13H2,(H,26,29)(H2,25,27,28,31)