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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-(isonicotinamidothiocarbamoyl)benzamide Formula: C16H15BrN4O3S MolecularWeight: 423.2843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2)Br

InChI

InChI=1S/C16H15BrN4O3S/c1-2-24-13-4-3-11(9-12(13)17)14(22)19-16(25)21-20-15(23)10-5-7-18-8-6-10/h3-9H,2H2,1H3,(H,20,23)(H2,19,21,22,25)