(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(isonicotinamidothiocarbamoyl)acrylamide Formula: C17H15BrN4O3S MolecularWeight: 435.295

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NNC(=O)C2=CC=NC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C17H15BrN4O3S/c1-25-14-4-3-13(18)10-12(14)2-5-15(23)20-17(26)22-21-16(24)11-6-8-19-9-7-11/h2-10H,1H3,(H,21,24)(H2,20,22,23,26)/b5-2+